N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C17H18N4O2 — CID 118036158

IUPACN-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C
InChIInChI=1S/C17H18N4O2/c1-11-8-15(18-9-12(11)2)20-17(23)21-7-3-4-13-5-6-14(10-22)19-16(13)21/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,20,23)
InChIKeyBJQXGINLPIRYPX-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.89
Rot. Bonds2

About N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036158) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID118036158
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C
InChIInChI=1S/C17H18N4O2/c1-11-8-15(18-9-12(11)2)20-17(23)21-7-3-4-13-5-6-14(10-22)19-16(13)21/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,20,23)
InChIKeyBJQXGINLPIRYPX-UHFFFAOYSA-N
XLogP2.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4,5-dimethyl-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 N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036158) is N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is Cc1cnc(NC(=O)N2CCCc3ccc(C=O)nc32)cc1C.
What is the InChIKey of N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is BJQXGINLPIRYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11-8-15(18-9-12(11)2)20-17(23)21-7-3-4-13-5-6-14(10-22)19-16(13)21/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,20,23).
What are the key properties of N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-2-pyridinyl)-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).