N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane

C78H103FN21O13S2- — CID 165026801

About N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane

N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane (PubChem CID 165026801) has the molecular formula C78H103FN21O13S2- and a molecular weight of 1626.95 g/mol. Its IUPAC name is N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane.

Molecular Properties

• Compound Name: N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane
• PubChem CID: 165026801
• Molecular Formula: C78H103FN21O13S2-
• Molecular Weight: 1626.95 g/mol
• Exact Mass: 1625.75
• IUPAC Name: N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane
• SMILES: C.C.COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(F)c(C#N)cn1.COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(OCCSC)c(C#N)cn1.COc1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(OCCSC)c(C#N)cn1.[2H-]
• InChI: InChI=1S/C27H35N7O5S.C25H31N7O4S.C24H28FN7O4.2CH4.H/c1-32-8-9-33(23(35)17-32)16-19-12-18-6-5-7-34(25(18)31-24(19)26(37-2)38-3)27(36)30-22-13-21(39-10-11-40-4)20(14-28)15-29-22;1-30-7-8-31(22(33)16-30)15-18-11-17-5-4-6-32(23(17)29-24(18)35-2)25(34)28-21-12-20(36-9-10-37-3)19(13-26)14-27-21;1-30-7-8-31(20(33)14-30)13-16-9-15-5-4-6-32(22(15)29-21(16)23(35-2)36-3)24(34)28-19-10-18(25)17(11-26)12-27-19;;;/h12-13,15,26H,5-11,16-17H2,1-4H3,(H,29,30,36);11-12,14H,4-10,15-16H2,1-3H3,(H,27,28,34);9-10,12,23H,4-8,13-14H2,1-3H3,(H,27,28,34);2*1H4;/q;;;;;-1/i;;;;;1+1
• InChIKey: MADANXFTMPKABT-PUQAOBSFSA-N
• XLogP: 8.42
• TPSA: 380.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.95
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane?

The IUPAC name of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane (CID 165026801) is N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane.

What is the SMILES notation for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane?

The canonical SMILES for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane is C.C.COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(F)c(C#N)cn1.COC(OC)c1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(OCCSC)c(C#N)cn1.COc1nc2c(cc1CN1CCN(C)CC1=O)CCCN2C(=O)Nc1cc(OCCSC)c(C#N)cn1.[2H-].

What is the InChIKey of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane?

The InChIKey is MADANXFTMPKABT-PUQAOBSFSA-N. The full InChI is InChI=1S/C27H35N7O5S.C25H31N7O4S.C24H28FN7O4.2CH4.H/c1-32-8-9-33(23(35)17-32)16-19-12-18-6-5-7-34(25(18)31-24(19)26(37-2)38-3)27(36)30-22-13-21(39-10-11-40-4)20(14-28)15-29-22;1-30-7-8-31(22(33)16-30)15-18-11-17-5-4-6-32(23(17)29-24(18)35-2)25(34)28-21-12-20(36-9-10-37-3)19(13-26)14-27-21;1-30-7-8-31(20(33)14-30)13-16-9-15-5-4-6-32(22(15)29-21(16)23(35-2)36-3)24(34)28-19-10-18(25)17(11-26)12-27-19;;;/h12-13,15,26H,5-11,16-17H2,1-4H3,(H,29,30,36);11-12,14H,4-10,15-16H2,1-3H3,(H,27,28,34);9-10,12,23H,4-8,13-14H2,1-3H3,(H,27,28,34);2*1H4;/q;;;;;-1/i;;;;;1+1.

What are the key properties of N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane?

N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane has a molecular weight of 1626.95 g/mol, XLogP of 8.42, 24 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyano-4-fluoro-2-pyridinyl)-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-(dimethoxymethyl)-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(2-methylsulfanylethoxy)-2-pyridinyl]-7-methoxy-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;deuteride;methane is sourced from PubChem (CID 165026801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).