3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide

C15H15ClN2OS — CID 84585188

IUPAC3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCC1(c2cccs2)CC1CNC(=O)c1ccncc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-15(13-3-2-6-20-13)7-10(15)8-18-14(19)11-4-5-17-9-12(11)16/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyBQLVTVQLLWJRJA-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.50
Rot. Bonds4

About 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide

3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide (PubChem CID 84585188) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
PubChem CID84585188
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC Name3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide
SMILESCC1(c2cccs2)CC1CNC(=O)c1ccncc1Cl
InChIInChI=1S/C15H15ClN2OS/c1-15(13-3-2-6-20-13)7-10(15)8-18-14(19)11-4-5-17-9-12(11)16/h2-6,9-10H,7-8H2,1H3,(H,18,19)
InChIKeyBQLVTVQLLWJRJA-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[(1S,2S)-2-methyl-2-thiophen-2-ylcyclopropyl]methyl]pyridine-4-carboxamide
CID 97215945
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867
N-[[(4S,5R)-4-(benzamidomethyl)-2,2-dimethyl-1,3,6-trioxocan-5-yl]methyl]-3-chloropyridine-4-carboxamide
CID 129207056
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
3-chloro-N-[2-[ethyl(methyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 104920297
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 79493993
3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 66482357

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide (CID 84585188) is 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide is CC1(c2cccs2)CC1CNC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide?
The InChIKey is BQLVTVQLLWJRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-15(13-3-2-6-20-13)7-10(15)8-18-14(19)11-4-5-17-9-12(11)16/h2-6,9-10H,7-8H2,1H3,(H,18,19).
What are the key properties of 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-methyl-2-thiophen-2-ylcyclopropyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 84585188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).