2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide

C13H11ClN4O3 — CID 114325780

IUPAC2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccn1
InChIInChI=1S/C13H11ClN4O3/c14-11-6-10(18(20)21)1-2-12(11)17-13(19)8-3-4-16-9(5-8)7-15/h1-6H,7,15H2,(H,17,19)
InChIKeyNMXRVIQYCPOGCZ-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.35
Rot. Bonds4

About 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide (PubChem CID 114325780) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide
PubChem CID114325780
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccn1
InChIInChI=1S/C13H11ClN4O3/c14-11-6-10(18(20)21)1-2-12(11)17-13(19)8-3-4-16-9(5-8)7-15/h1-6H,7,15H2,(H,17,19)
InChIKeyNMXRVIQYCPOGCZ-UHFFFAOYSA-N
XLogP2.35
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.35
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

3-chloro-N-(2-chloro-4-nitrophenyl)-4-hydroxybenzamide
CID 25217158
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
3,5-dichloro-N-(2-chloro-4-nitrophenyl)-4-ethoxybenzamide
CID 2977495
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
N-(2-chloro-4-nitrophenyl)-4-methyl-3-nitrobenzamide
CID 5099855
N-(2-chloro-4-nitrophenyl)-3-methyl-4-nitrobenzamide
CID 4985989
[2-(2-chloro-4-nitroanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 3577084
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
CID 114326382
N-(2-chloro-4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3835365
2-(5-amino-2-pyridinyl)-N-(2-chloro-4-nitrophenyl)acetamide
CID 107337756

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide (CID 114325780) is 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide is NCc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is NMXRVIQYCPOGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c14-11-6-10(18(20)21)1-2-12(11)17-13(19)8-3-4-16-9(5-8)7-15/h1-6H,7,15H2,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).