2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide

C14H15N3OS — CID 114325497

IUPAC2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
SMILESCSc1ccc(NC(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C14H15N3OS/c1-19-13-4-2-11(3-5-13)17-14(18)10-6-7-16-12(8-10)9-15/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyYGLFAOKCKWCNMF-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.51
Rot. Bonds4

About 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide (PubChem CID 114325497) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
PubChem CID114325497
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
SMILESCSc1ccc(NC(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C14H15N3OS/c1-19-13-4-2-11(3-5-13)17-14(18)10-6-7-16-12(8-10)9-15/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyYGLFAOKCKWCNMF-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138
2-(aminomethyl)-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 114326601
2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
CID 114325907
2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 112523669

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide (CID 114325497) is 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide is CSc1ccc(NC(=O)c2ccnc(CN)c2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide?
The InChIKey is YGLFAOKCKWCNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-19-13-4-2-11(3-5-13)17-14(18)10-6-7-16-12(8-10)9-15/h2-8H,9,15H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114325497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).