3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide

C14H21N3OS — CID 91840850

IUPAC3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide
SMILESCN(CCC(=O)Nc1cccnc1)C1CCSCC1
InChIInChI=1S/C14H21N3OS/c1-17(13-5-9-19-10-6-13)8-4-14(18)16-12-3-2-7-15-11-12/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,16,18)
InChIKeyRWIYATPDYCVGMG-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.24
Rot. Bonds5

About 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide

3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide (PubChem CID 91840850) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide
PubChem CID91840850
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide
SMILESCN(CCC(=O)Nc1cccnc1)C1CCSCC1
InChIInChI=1S/C14H21N3OS/c1-17(13-5-9-19-10-6-13)8-4-14(18)16-12-3-2-7-15-11-12/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,16,18)
InChIKeyRWIYATPDYCVGMG-UHFFFAOYSA-N
XLogP2.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide
CID 135117526
N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91839263
2-cyclopropyl-N-pyridin-3-ylacetamide
CID 131129634
3-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]-N-pyridin-3-ylpropanamide
CID 91833614
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
CID 24657988
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
2-(cyclopropylmethylamino)-N-pyridin-3-ylacetamide;dihydrochloride
CID 119827153
2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
CID 44993995
3-[[2-(cyclopropylmethoxy)acetyl]amino]-N-pyridin-3-ylpropanamide
CID 167813962
3-(2-methylhydrazinyl)-3-oxo-N-pyridin-3-ylpropanamide
CID 129281433

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide (CID 91840850) is 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide is CN(CCC(=O)Nc1cccnc1)C1CCSCC1.
What is the InChIKey of 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide?
The InChIKey is RWIYATPDYCVGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-17(13-5-9-19-10-6-13)8-4-14(18)16-12-3-2-7-15-11-12/h2-3,7,11,13H,4-6,8-10H2,1H3,(H,16,18).
What are the key properties of 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide?
3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide has a molecular weight of 279.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thian-4-yl)amino]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 91840850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).