1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid

C15H14N2O3S — CID 120530498

IUPAC1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1nc(-c2ccsc2)ccc1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C15H14N2O3S/c1-9-11(13(18)17-15(5-6-15)14(19)20)2-3-12(16-9)10-4-7-21-8-10/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyNSGOCTPHBDKYEA-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.47
Rot. Bonds4

About 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid

1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 120530498) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
PubChem CID120530498
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1nc(-c2ccsc2)ccc1C(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C15H14N2O3S/c1-9-11(13(18)17-15(5-6-15)14(19)20)2-3-12(16-9)10-4-7-21-8-10/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyNSGOCTPHBDKYEA-UHFFFAOYSA-N
XLogP2.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]thiolane-3-carboxylic acid
CID 120531439
2-methyl-N-[2-(methylamino)ethyl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 119500262
cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678974
2-methyl-N-(1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylpyridine-3-carboxamide
CID 71880407
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 120890315
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119609453
N-[2-(aminomethyl)cyclopentyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119600903
2-methyl-N-(2-methylpiperidin-4-yl)-6-thiophen-3-ylpyridine-3-carboxamide;dihydrochloride
CID 120598765
2-methyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 95295466
(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 120537434
2-methyl-N-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-6-thiophen-3-ylpyridine-3-carboxamide
CID 99122200
1,4-diazepan-1-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119414456

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid (CID 120530498) is 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid is Cc1nc(-c2ccsc2)ccc1C(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is NSGOCTPHBDKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-11(13(18)17-15(5-6-15)14(19)20)2-3-12(16-9)10-4-7-21-8-10/h2-4,7-8H,5-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid?
1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120530498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).