N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide

C18H17N3OS — CID 70887807

IUPACN-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2N)c1
InChIInChI=1S/C18H17N3OS/c1-12-3-2-4-13(9-12)10-17(22)21-18-15(19)11-16(23-18)14-5-7-20-8-6-14/h2-9,11H,10,19H2,1H3,(H,21,22)
InChIKeyINPSWTVTPNFPBR-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.88
Rot. Bonds4

About N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide

N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide (PubChem CID 70887807) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide
PubChem CID70887807
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2N)c1
InChIInChI=1S/C18H17N3OS/c1-12-3-2-4-13(9-12)10-17(22)21-18-15(19)11-16(23-18)14-5-7-20-8-6-14/h2-9,11H,10,19H2,1H3,(H,21,22)
InChIKeyINPSWTVTPNFPBR-UHFFFAOYSA-N
XLogP3.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-Fluoropyridin-4-Yl)thiophen-2-Yl]-2-{3-[(Methylsulfonyl)amino]phenyl}acetamide
CID 24830571
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
N-(3,5-dimethylphenyl)-3-(pyridin-4-ylmethylsulfanyl)thiophene-2-carboxamide
CID 11725698
[4-Fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(5-phenylthiophen-2-yl)methanone
CID 42606107
N-hydroxy-5-(5-(phenethylamino)pyridin-2-yl)thiophene-2-carboxamide
CID 44418127
5-Phenyl-2-(pyridin-3-ylamino)thiophene-3-carboxamide
CID 44610371
5-Phenyl-2-(pyridin-4-ylamino)thiophene-3-carboxamide
CID 44610523
trans-(1R,2R)-N-(4-methylthieno[2,3-c]pyridin-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 156169222
4-Methyl-N-{1-[(pyridin-4-ylmethyl)-carbamoyl]-2-thiophen-2-yl-vinyl}-benzamide
CID 2891748
2-[Benzyl-(2-thiophen-2-yl-acetyl)-amino]-N-cyclopentyl-2-pyridin-4-yl-acetamide
CID 3202582
N-cyclopentyl-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202604
N-Cyclopentyl-2-pyridin-4-yl-2-[(2-thiophen-2-yl-acetyl)-m-tolyl-amino]-acetamide
CID 3202606

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide (CID 70887807) is N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2sc(-c3ccncc3)cc2N)c1.
What is the InChIKey of N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide?
The InChIKey is INPSWTVTPNFPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-12-3-2-4-13(9-12)10-17(22)21-18-15(19)11-16(23-18)14-5-7-20-8-6-14/h2-9,11H,10,19H2,1H3,(H,21,22).
What are the key properties of N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide?
N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide has a molecular weight of 323.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-5-pyridin-4-ylthiophen-2-yl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 70887807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).