N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H33N7O4 — CID 118036356

IUPACN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCNC(C)c1cc2c(nc1C(OC)OC)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2
InChIInChI=1S/C24H33N7O4/c1-15(26-2)18-11-16-7-6-9-31(22(16)30-21(18)23(34-4)35-5)24(32)29-20-12-19(27-8-10-33-3)17(13-25)14-28-20/h11-12,14-15,23,26H,6-10H2,1-5H3,(H2,27,28,29,32)
InChIKeyVMAGUXXTJAERDM-UHFFFAOYSA-N
MW483.57 g/mol
LogP2.96
Rot. Bonds10

About N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036356) has the molecular formula C24H33N7O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036356
Molecular FormulaC24H33N7O4
Molecular Weight483.57 g/mol
Exact Mass483.26
IUPAC NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCNC(C)c1cc2c(nc1C(OC)OC)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2
InChIInChI=1S/C24H33N7O4/c1-15(26-2)18-11-16-7-6-9-31(22(16)30-21(18)23(34-4)35-5)24(32)29-20-12-19(27-8-10-33-3)17(13-25)14-28-20/h11-12,14-15,23,26H,6-10H2,1-5H3,(H2,27,28,29,32)
InChIKeyVMAGUXXTJAERDM-UHFFFAOYSA-N
XLogP2.96
TPSA133.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036356) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CNC(C)c1cc2c(nc1C(OC)OC)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is VMAGUXXTJAERDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O4/c1-15(26-2)18-11-16-7-6-9-31(22(16)30-21(18)23(34-4)35-5)24(32)29-20-12-19(27-8-10-33-3)17(13-25)14-28-20/h11-12,14-15,23,26H,6-10H2,1-5H3,(H2,27,28,29,32).
What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 2.96, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-[1-(methylamino)ethyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).