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

C24H28N8O4 — CID 118036788

IUPACN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(-n4ccnc4)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C24H28N8O4/c1-34-10-7-27-18-12-20(28-14-17(18)13-25)29-24(33)32-8-4-5-16-11-19(31-9-6-26-15-31)21(30-22(16)32)23(35-2)36-3/h6,9,11-12,14-15,23H,4-5,7-8,10H2,1-3H3,(H2,27,28,29,33)
InChIKeyWOICEMBALLTYBX-UHFFFAOYSA-N
MW492.54 g/mol
LogP2.87
Rot. Bonds9

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

N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036788) has the molecular formula C24H28N8O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036788
Molecular FormulaC24H28N8O4
Molecular Weight492.54 g/mol
Exact Mass492.22
IUPAC NameN-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(-n4ccnc4)c(C(OC)OC)nc32)ncc1C#N
InChIInChI=1S/C24H28N8O4/c1-34-10-7-27-18-12-20(28-14-17(18)13-25)29-24(33)32-8-4-5-16-11-19(31-9-6-26-15-31)21(30-22(16)32)23(35-2)36-3/h6,9,11-12,14-15,23H,4-5,7-8,10H2,1-3H3,(H2,27,28,29,33)
InChIKeyWOICEMBALLTYBX-UHFFFAOYSA-N
XLogP2.87
TPSA139.45 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036788) is N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-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-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(-n4ccnc4)c(C(OC)OC)nc32)ncc1C#N.
What is the InChIKey of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is WOICEMBALLTYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O4/c1-34-10-7-27-18-12-20(28-14-17(18)13-25)29-24(33)32-8-4-5-16-11-19(31-9-6-26-15-31)21(30-22(16)32)23(35-2)36-3/h6,9,11-12,14-15,23H,4-5,7-8,10H2,1-3H3,(H2,27,28,29,33).
What are the key properties of N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 492.54 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-(dimethoxymethyl)-6-imidazol-1-yl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).