N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide

C15H10N4O3 — CID 177046941

IUPACN-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2n1
InChIInChI=1S/C15H10N4O3/c20-15(17-11-4-6-12(7-5-11)19(21)22)13-8-3-10-2-1-9-16-14(10)18-13/h1-9H,(H,17,20)
InChIKeyBBNCSCHPNVQYOG-UHFFFAOYSA-N
MW294.27 g/mol
LogP2.79
Rot. Bonds3

About N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide

N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide (PubChem CID 177046941) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
PubChem CID177046941
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC NameN-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2n1
InChIInChI=1S/C15H10N4O3/c20-15(17-11-4-6-12(7-5-11)19(21)22)13-8-3-10-2-1-9-16-14(10)18-13/h1-9H,(H,17,20)
InChIKeyBBNCSCHPNVQYOG-UHFFFAOYSA-N
XLogP2.79
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-1,8-naphthyridine-2-carboxamide
CID 177046964
5-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 104640079
6-(methylamino)-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 62239792
8-hydroxy-N-[4-(4-nitrophenoxy)phenyl]quinoline-7-carboxamide;hydrochloride
CID 18372593
N'-(2-chloro-3-pyridinyl)-N-(4-nitrophenyl)oxamide
CID 108513126
5-nitro-N-[4-(pyridin-4-ylamino)phenyl]pyridine-2-carboxamide
CID 157044268
1-benzyl-N-(4-nitrophenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620241
1-hydroxy-N-(4-nitrophenyl)naphthalene-2-carboxamide
CID 3352872
2-amino-N-(4-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62788018
2,6-dichloro-N-(4-nitrophenyl)benzamide
CID 4206634
N-cyclobutyl-1,8-naphthyridine-2-carboxamide
CID 177046765
N-(4-nitrophenyl)-1H-indazole-6-carboxamide
CID 62905610

Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide?
The IUPAC name of N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide (CID 177046941) is N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2n1.
What is the InChIKey of N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide?
The InChIKey is BBNCSCHPNVQYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-15(17-11-4-6-12(7-5-11)19(21)22)13-8-3-10-2-1-9-16-14(10)18-13/h1-9H,(H,17,20).
What are the key properties of N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide?
N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide has a molecular weight of 294.27 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 177046941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).