6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide

C13H21N3OS — CID 133311932

IUPAC6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(C)CSC)nc1
InChIInChI=1S/C13H21N3OS/c1-4-7-14-13(17)11-5-6-12(15-8-11)16-10(2)9-18-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyPHFXUXAUEUQWON-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.38
Rot. Bonds7

About 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide

6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide (PubChem CID 133311932) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide
PubChem CID133311932
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(C)CSC)nc1
InChIInChI=1S/C13H21N3OS/c1-4-7-14-13(17)11-5-6-12(15-8-11)16-10(2)9-18-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyPHFXUXAUEUQWON-UHFFFAOYSA-N
XLogP2.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 113351620
6-(ethylamino)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-3-carboxamide
CID 63963593
6-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-propylpyridine-3-carboxamide
CID 133477603
N-[1-oxo-1-(propylamino)propan-2-yl]-6-(propylamino)pyridine-3-carboxamide
CID 62178002
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
6-(butan-2-ylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109151959
6-[[(1R)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]amino]-N-propylpyridine-3-carboxamide
CID 97098793
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-(3-phenylpropyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764093
5-N-propylpyridine-2,5-dicarboxamide
CID 47460537
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide (CID 133311932) is 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NC(C)CSC)nc1.
What is the InChIKey of 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide?
The InChIKey is PHFXUXAUEUQWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-7-14-13(17)11-5-6-12(15-8-11)16-10(2)9-18-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide?
6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylsulfanylpropan-2-ylamino)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133311932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).