N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide

C13H16N4OS — CID 91791541

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC(C)c1ncc(C)[nH]1
InChIInChI=1S/C13H16N4OS/c1-8-7-15-11(16-8)9(2)17-12(18)10-5-4-6-14-13(10)19-3/h4-7,9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyOKHRYSBZRZGEPX-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.33
Rot. Bonds4

About N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 91791541) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID91791541
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NC(C)c1ncc(C)[nH]1
InChIInChI=1S/C13H16N4OS/c1-8-7-15-11(16-8)9(2)17-12(18)10-5-4-6-14-13(10)19-3/h4-7,9H,1-3H3,(H,15,16)(H,17,18)
InChIKeyOKHRYSBZRZGEPX-UHFFFAOYSA-N
XLogP2.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1H-Benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-N-isopropyl-acetamide
CID 1432472
4-(5-{[1-(2-Methylsulfanyl-pyridine-3-carbonyl)-pyrrolidin-3-ylamino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
CID 10982914
4-(5-{[1-(2-Ethylsulfanyl-pyridine-3-carbonyl)-pyrrolidin-3-ylamino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
CID 11080796
5,11-Dihydro-11-ethyl-5-methyl-2-(2-imidazolyl)-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 463570
2-ethyl-5-(1H-imidazol-5-yl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 10734451
6-[[4-(1-amino-2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 46943181
6-[[4-(1-aminoethyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 49789358
6-[[4-(1-amino-3-phenylpropyl)-1,3-thiazol-2-yl]amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 49789604
6-[[4-(1-amino-3-methylbutyl)-1,3-thiazol-2-yl]amino]-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 49792465
4-[[5-[[[1-(2-Methylsulfanylpyridine-3-carbonyl)-2-oxopyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 56663187
N-(6-methylpyridin-2-yl)-2-(methylsulfanyl)pyridine-3-carboxamide
CID 18107225
N-(3-Imidazol-1-yl-propyl)-6-methyl-nicotinamide
CID 2939932

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 91791541) is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NC(C)c1ncc(C)[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is OKHRYSBZRZGEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-8-7-15-11(16-8)9(2)17-12(18)10-5-4-6-14-13(10)19-3/h4-7,9H,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 91791541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).