2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide

C12H9ClN4O3 — CID 107812124

IUPAC2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C12H9ClN4O3/c13-9-2-1-8(6-10(9)17(19)20)16-12(18)7-3-4-15-11(14)5-7/h1-6H,(H2,14,15)(H,16,18)
InChIKeyZYMDIDCEFBFJKX-UHFFFAOYSA-N
MW292.68 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide

2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide (PubChem CID 107812124) has the molecular formula C12H9ClN4O3 and a molecular weight of 292.68 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
PubChem CID107812124
Molecular FormulaC12H9ClN4O3
Molecular Weight292.68 g/mol
Exact Mass292.04
IUPAC Name2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccn1
InChIInChI=1S/C12H9ClN4O3/c13-9-2-1-8(6-10(9)17(19)20)16-12(18)7-3-4-15-11(14)5-7/h1-6H,(H2,14,15)(H,16,18)
InChIKeyZYMDIDCEFBFJKX-UHFFFAOYSA-N
XLogP2.48
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 52.48
H-Bond Donors ≤ 52
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

4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
2-amino-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 62154696
3-chloro-N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 103221361
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-(aminomethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43708452
2-amino-N-(3-chloro-4-methoxyphenyl)pyridine-4-carboxamide
CID 55043717
4-chloro-3-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 1366188
4-(chloromethyl)-N-(4-chloro-3-nitrophenyl)benzamide
CID 43346941
N-(4-chloro-3-nitrophenyl)-4-propan-2-yloxybenzamide
CID 3351520
4-chloro-3-nitro-N-pyrimidin-2-ylbenzamide
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2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 63110257

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide (CID 107812124) is 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide is Nc1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccn1.
What is the InChIKey of 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is ZYMDIDCEFBFJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O3/c13-9-2-1-8(6-10(9)17(19)20)16-12(18)7-3-4-15-11(14)5-7/h1-6H,(H2,14,15)(H,16,18).
What are the key properties of 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide?
2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 292.68 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 107812124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).