1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide

C20H26N4O3S — CID 92634545

IUPAC1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)s1
InChIInChI=1S/C20H26N4O3S/c1-14-11-22-18(28-14)9-10-21-20(27)15-7-8-19(26)24(12-15)13-17(25)23-16-5-3-2-4-6-16/h7-8,11-12,16H,2-6,9-10,13H2,1H3,(H,21,27)(H,23,25)
InChIKeyXPYUYQZBQIVAQT-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.03
Rot. Bonds7

About 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide

1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92634545) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide
PubChem CID92634545
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)s1
InChIInChI=1S/C20H26N4O3S/c1-14-11-22-18(28-14)9-10-21-20(27)15-7-8-19(26)24(12-15)13-17(25)23-16-5-3-2-4-6-16/h7-8,11-12,16H,2-6,9-10,13H2,1H3,(H,21,27)(H,23,25)
InChIKeyXPYUYQZBQIVAQT-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 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide (CID 92634545) is 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide is Cc1cnc(CCNC(=O)c2ccc(=O)n(CC(=O)NC3CCCCC3)c2)s1.
What is the InChIKey of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is XPYUYQZBQIVAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14-11-22-18(28-14)9-10-21-20(27)15-7-8-19(26)24(12-15)13-17(25)23-16-5-3-2-4-6-16/h7-8,11-12,16H,2-6,9-10,13H2,1H3,(H,21,27)(H,23,25).
What are the key properties of 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide?
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-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 1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92634545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).