N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C18H22N4O3S — CID 42590205

IUPACN-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCC1CCCCC1
InChIInChI=1S/C18H22N4O3S/c23-15(20-10-12-5-2-1-3-6-12)9-13-11-26-18(21-13)22-17(25)14-7-4-8-19-16(14)24/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,24)(H,20,23)(H,21,22,25)
InChIKeyJFMKXKQQKTYBKS-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.32
Rot. Bonds6

About N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 42590205) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID42590205
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCC1CCCCC1
InChIInChI=1S/C18H22N4O3S/c23-15(20-10-12-5-2-1-3-6-12)9-13-11-26-18(21-13)22-17(25)14-7-4-8-19-16(14)24/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,24)(H,20,23)(H,21,22,25)
InChIKeyJFMKXKQQKTYBKS-UHFFFAOYSA-N
XLogP2.32
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 42590205) is N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCC1CCCCC1.
What is the InChIKey of N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is JFMKXKQQKTYBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c23-15(20-10-12-5-2-1-3-6-12)9-13-11-26-18(21-13)22-17(25)14-7-4-8-19-16(14)24/h4,7-8,11-12H,1-3,5-6,9-10H2,(H,19,24)(H,20,23)(H,21,22,25).
What are the key properties of N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclohexylmethylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 42590205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).