6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide

C14H17N3OS — CID 78997302

IUPAC6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide
SMILESCc1ccc(CC(C)Nc2ccc(C(N)=O)cn2)s1
InChIInChI=1S/C14H17N3OS/c1-9(7-12-5-3-10(2)19-12)17-13-6-4-11(8-16-13)14(15)18/h3-6,8-9H,7H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyBBKAYNILIQJJSZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.59
Rot. Bonds5

About 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide

6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide (PubChem CID 78997302) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide
PubChem CID78997302
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide
SMILESCc1ccc(CC(C)Nc2ccc(C(N)=O)cn2)s1
InChIInChI=1S/C14H17N3OS/c1-9(7-12-5-3-10(2)19-12)17-13-6-4-11(8-16-13)14(15)18/h3-6,8-9H,7H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyBBKAYNILIQJJSZ-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-aminopropan-2-ylamino)pyridine-3-carboxamide
CID 63732982
5-tert-butyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyridin-2-amine
CID 107874721
6-(4-hydroxybutan-2-ylamino)pyridine-3-carboxamide
CID 79003427
2-amino-3-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzamide
CID 115546311
4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyrimidine-5-carboxylic acid
CID 114214452
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122050028
2-hydrazinyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidin-4-amine
CID 80917766
6-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 62663227
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-5-nitro-1,3-thiazol-2-amine
CID 102770842
2,3-difluoro-4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]benzoic acid
CID 79835082
6-(1-phenylpropan-2-ylamino)pyridine-3-carboxylic acid
CID 63011971

Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide (CID 78997302) is 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide is Cc1ccc(CC(C)Nc2ccc(C(N)=O)cn2)s1.
What is the InChIKey of 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide?
The InChIKey is BBKAYNILIQJJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(7-12-5-3-10(2)19-12)17-13-6-4-11(8-16-13)14(15)18/h3-6,8-9H,7H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide?
6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide has a molecular weight of 275.38 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carboxamide is sourced from PubChem (CID 78997302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).