N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

C14H13FN2OS — CID 115645728

IUPACN-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H13FN2OS/c15-13-8-16-6-5-12(13)14(18)17(10-3-4-10)9-11-2-1-7-19-11/h1-2,5-8,10H,3-4,9H2
InChIKeyATVOYESQUOUSRH-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.09
Rot. Bonds4

About N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide

N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 115645728) has the molecular formula C14H13FN2OS and a molecular weight of 276.34 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
PubChem CID115645728
Molecular FormulaC14H13FN2OS
Molecular Weight276.34 g/mol
Exact Mass276.07
IUPAC NameN-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
SMILESO=C(c1ccncc1F)N(Cc1cccs1)C1CC1
InChIInChI=1S/C14H13FN2OS/c15-13-8-16-6-5-12(13)14(18)17(10-3-4-10)9-11-2-1-7-19-11/h1-2,5-8,10H,3-4,9H2
InChIKeyATVOYESQUOUSRH-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115645755
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
N-cyclopropyl-1-methyl-3-pyridin-4-yl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
CID 47074872
N-cyclopropyl-3-hydroxy-2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 82795082
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
3-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 115673134
N-(cyclohexylmethyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 115646013
N-cyclopentyl-N-ethyl-3-fluoropyridine-4-carboxamide
CID 115645775
N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 134004531
5-amino-N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61107609
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-fluoropyridine-4-carboxamide
CID 64949112
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-fluoropyridine-4-carboxamide
CID 115645919

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide (CID 115645728) is N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is O=C(c1ccncc1F)N(Cc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is ATVOYESQUOUSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2OS/c15-13-8-16-6-5-12(13)14(18)17(10-3-4-10)9-11-2-1-7-19-11/h1-2,5-8,10H,3-4,9H2.
What are the key properties of N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide?
N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115645728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).