2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide

C14H15N3O3S — CID 114325907

IUPAC2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccnc(CN)c2)c1
InChIInChI=1S/C14H15N3O3S/c1-21(19,20)13-4-2-3-11(8-13)17-14(18)10-5-6-16-12(7-10)9-15/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyNJWIIZMSBRNPFA-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.20
Rot. Bonds4

About 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide (PubChem CID 114325907) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
PubChem CID114325907
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccnc(CN)c2)c1
InChIInChI=1S/C14H15N3O3S/c1-21(19,20)13-4-2-3-11(8-13)17-14(18)10-5-6-16-12(7-10)9-15/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyNJWIIZMSBRNPFA-UHFFFAOYSA-N
XLogP1.20
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
N-(3-methylsulfonylphenyl)-1H-imidazole-2-carboxamide
CID 110466603
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
2-(aminomethyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 114325900

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide (CID 114325907) is 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2ccnc(CN)c2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide?
The InChIKey is NJWIIZMSBRNPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-21(19,20)13-4-2-3-11(8-13)17-14(18)10-5-6-16-12(7-10)9-15/h2-8H,9,15H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).