N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide

C19H19N3O2 — CID 167743416

IUPACN-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide
SMILESCC1(c2ccc(NC(=O)C3CC(=O)Nc4ncccc43)cc2)CC1
InChIInChI=1S/C19H19N3O2/c1-19(8-9-19)12-4-6-13(7-5-12)21-18(24)15-11-16(23)22-17-14(15)3-2-10-20-17/h2-7,10,15H,8-9,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyBWMFIZKNLNDCPE-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.20
Rot. Bonds3

About N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide

N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide (PubChem CID 167743416) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide
PubChem CID167743416
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide
SMILESCC1(c2ccc(NC(=O)C3CC(=O)Nc4ncccc43)cc2)CC1
InChIInChI=1S/C19H19N3O2/c1-19(8-9-19)12-4-6-13(7-5-12)21-18(24)15-11-16(23)22-17-14(15)3-2-10-20-17/h2-7,10,15H,8-9,11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyBWMFIZKNLNDCPE-UHFFFAOYSA-N
XLogP3.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide?
The IUPAC name of N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide (CID 167743416) is N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide is CC1(c2ccc(NC(=O)C3CC(=O)Nc4ncccc43)cc2)CC1.
What is the InChIKey of N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide?
The InChIKey is BWMFIZKNLNDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-19(8-9-19)12-4-6-13(7-5-12)21-18(24)15-11-16(23)22-17-14(15)3-2-10-20-17/h2-7,10,15H,8-9,11H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide?
N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylcyclopropyl)phenyl]-2-oxo-3,4-dihydro-1H-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 167743416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).