2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide

C16H19N3OS — CID 114325943

IUPAC2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C16H19N3OS/c1-19(11-12-3-5-15(21-2)6-4-12)16(20)13-7-8-18-14(9-13)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyBBVSGWSNNRGSJX-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.53
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 114325943) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
PubChem CID114325943
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
SMILESCSc1ccc(CN(C)C(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C16H19N3OS/c1-19(11-12-3-5-15(21-2)6-4-12)16(20)13-7-8-18-14(9-13)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyBBVSGWSNNRGSJX-UHFFFAOYSA-N
XLogP2.53
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide
CID 106752310
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937
2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 115116006
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
3-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 35689866
N-benzyl-N-methyl-4-methylsulfanylbenzamide
CID 78791696
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
2-bromo-N-[(4-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 103753880
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide (CID 114325943) is 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide is CSc1ccc(CN(C)C(=O)c2ccnc(CN)c2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is BBVSGWSNNRGSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19(11-12-3-5-15(21-2)6-4-12)16(20)13-7-8-18-14(9-13)10-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114325943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).