N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

C20H26N4O3S — CID 92635167

IUPACN-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cnc(CCNC(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)s1
InChIInChI=1S/C20H26N4O3S/c1-14-12-22-18(28-14)9-10-21-17(25)13-24-11-5-8-16(20(24)27)19(26)23-15-6-3-2-4-7-15/h5,8,11-12,15H,2-4,6-7,9-10,13H2,1H3,(H,21,25)(H,23,26)
InChIKeyHPKIHINOTPGJNP-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.03
Rot. Bonds7

About N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide

N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (PubChem CID 92635167) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
PubChem CID92635167
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cnc(CCNC(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)s1
InChIInChI=1S/C20H26N4O3S/c1-14-12-22-18(28-14)9-10-21-17(25)13-24-11-5-8-16(20(24)27)19(26)23-15-6-3-2-4-7-15/h5,8,11-12,15H,2-4,6-7,9-10,13H2,1H3,(H,21,25)(H,23,26)
InChIKeyHPKIHINOTPGJNP-UHFFFAOYSA-N
XLogP2.03
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide (CID 92635167) is N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is Cc1cnc(CCNC(=O)Cn2cccc(C(=O)NC3CCCCC3)c2=O)s1.
What is the InChIKey of N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is HPKIHINOTPGJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14-12-22-18(28-14)9-10-21-17(25)13-24-11-5-8-16(20(24)27)19(26)23-15-6-3-2-4-7-15/h5,8,11-12,15H,2-4,6-7,9-10,13H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide?
N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[2-[2-(5-methyl-1,3-thiazol-2-yl)ethylamino]-2-oxoethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).