N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide

C16H19N3OS — CID 62185086

IUPACN-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C16H19N3OS/c1-3-9-17-15-14(8-5-10-18-15)16(20)19-12-6-4-7-13(11-12)21-2/h4-8,10-11H,3,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLYAMWYAUILYSOE-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.88
Rot. Bonds6

About N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide

N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 62185086) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID62185086
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)Nc1cccc(SC)c1
InChIInChI=1S/C16H19N3OS/c1-3-9-17-15-14(8-5-10-18-15)16(20)19-12-6-4-7-13(11-12)21-2/h4-8,10-11H,3,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLYAMWYAUILYSOE-UHFFFAOYSA-N
XLogP3.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166611
N-(6-methyl-2-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62171746
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
N-(2-methyl-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 79043163
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
N-(6-methoxy-3-pyridinyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167573
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
2-(propylamino)pyridine-3-carboxylate
CID 22068597
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
N-(4-bromo-2-methylphenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62186791

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide (CID 62185086) is N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)Nc1cccc(SC)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is LYAMWYAUILYSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-3-9-17-15-14(8-5-10-18-15)16(20)19-12-6-4-7-13(11-12)21-2/h4-8,10-11H,3,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide?
N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62185086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).