2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide

C14H14IN3O — CID 114325820

IUPAC2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H14IN3O/c1-9-6-11(15)2-3-13(9)18-14(19)10-4-5-17-12(7-10)8-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyXXYKFQJKXMXYNR-UHFFFAOYSA-N
MW367.19 g/mol
LogP2.71
Rot. Bonds3

About 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide (PubChem CID 114325820) has the molecular formula C14H14IN3O and a molecular weight of 367.19 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide
PubChem CID114325820
Molecular FormulaC14H14IN3O
Molecular Weight367.19 g/mol
Exact Mass367.02
IUPAC Name2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccnc(CN)c1
InChIInChI=1S/C14H14IN3O/c1-9-6-11(15)2-3-13(9)18-14(19)10-4-5-17-12(7-10)8-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyXXYKFQJKXMXYNR-UHFFFAOYSA-N
XLogP2.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 114325733
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804
N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497099
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 114326756
2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
CID 114325502
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
2-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 83167261
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide (CID 114325820) is 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide is Cc1cc(I)ccc1NC(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is XXYKFQJKXMXYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14IN3O/c1-9-6-11(15)2-3-13(9)18-14(19)10-4-5-17-12(7-10)8-16/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 367.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).