N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide

C14H21N3OS — CID 103704015

IUPACN-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NC2CCCC2SC)ccn1
InChIInChI=1S/C14H21N3OS/c1-3-15-14(18)12-9-10(7-8-16-12)17-11-5-4-6-13(11)19-2/h7-9,11,13H,3-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLYMAORKMOXXMAF-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.53
Rot. Bonds5

About N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide

N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide (PubChem CID 103704015) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide
PubChem CID103704015
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc(NC2CCCC2SC)ccn1
InChIInChI=1S/C14H21N3OS/c1-3-15-14(18)12-9-10(7-8-16-12)17-11-5-4-6-13(11)19-2/h7-9,11,13H,3-6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLYMAORKMOXXMAF-UHFFFAOYSA-N
XLogP2.53
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(ethylcarbamoyl)-4-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 64816659
N-ethyl-4-[(2-methylpiperidin-3-yl)amino]pyridine-2-carboxamide
CID 114695697
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
N-ethyl-4-[(2-methyloxolan-3-yl)amino]pyridine-2-carboxamide
CID 82728955
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 55033632
2-methyl-N-(2-methylsulfanylcyclohexyl)pyridin-4-amine
CID 104924401
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide
CID 43599108
N-(cyclobutylmethyl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167949
N-butyl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109202468
4-(2-cyclopropylpropylamino)-N-ethylpyridine-2-carboxamide
CID 113234707
N,N-diethyl-4-[(2-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395278

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide (CID 103704015) is N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide is CCNC(=O)c1cc(NC2CCCC2SC)ccn1.
What is the InChIKey of N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide?
The InChIKey is LYMAORKMOXXMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-3-15-14(18)12-9-10(7-8-16-12)17-11-5-4-6-13(11)19-2/h7-9,11,13H,3-6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide?
N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methylsulfanylcyclopentyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 103704015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).