6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C24H29N7O4 — CID 118036438

IUPAC6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(C(C)N(C)C(C)=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H29N7O4/c1-15(30(3)16(2)33)19-10-17-6-5-8-31(23(17)28-21(19)14-32)24(34)29-22-11-20(26-7-9-35-4)18(12-25)13-27-22/h10-11,13-15H,5-9H2,1-4H3,(H2,26,27,29,34)
InChIKeyXENDLIDSVUNZKM-UHFFFAOYSA-N
MW479.54 g/mol
LogP2.74
Rot. Bonds8

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

6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036438) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036438
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOCCNc1cc(NC(=O)N2CCCc3cc(C(C)N(C)C(C)=O)c(C=O)nc32)ncc1C#N
InChIInChI=1S/C24H29N7O4/c1-15(30(3)16(2)33)19-10-17-6-5-8-31(23(17)28-21(19)14-32)24(34)29-22-11-20(26-7-9-35-4)18(12-25)13-27-22/h10-11,13-15H,5-9H2,1-4H3,(H2,26,27,29,34)
InChIKeyXENDLIDSVUNZKM-UHFFFAOYSA-N
XLogP2.74
TPSA140.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036438) is 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCNc1cc(NC(=O)N2CCCc3cc(C(C)N(C)C(C)=O)c(C=O)nc32)ncc1C#N.
What is the InChIKey of 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is XENDLIDSVUNZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-15(30(3)16(2)33)19-10-17-6-5-8-31(23(17)28-21(19)14-32)24(34)29-22-11-20(26-7-9-35-4)18(12-25)13-27-22/h10-11,13-15H,5-9H2,1-4H3,(H2,26,27,29,34).
What are the key properties of 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[acetyl(methyl)amino]ethyl]-N-[5-cyano-4-(2-methoxyethylamino)-2-pyridinyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).