N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C25H34N4O3S — CID 3211272

IUPACN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)CCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C25H34N4O3S/c1-18(2)12-14-29(22(30)17-27-24(31)21-11-7-15-33-21)23(19-8-6-13-26-16-19)25(32)28-20-9-4-3-5-10-20/h6-8,11,13,15-16,18,20,23H,3-5,9-10,12,14,17H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyNIALZUCWIQSELY-UHFFFAOYSA-N
MW470.64 g/mol
LogP3.94
Rot. Bonds10

About N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211272) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211272
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC NameN-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(C)CCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1
InChIInChI=1S/C25H34N4O3S/c1-18(2)12-14-29(22(30)17-27-24(31)21-11-7-15-33-21)23(19-8-6-13-26-16-19)25(32)28-20-9-4-3-5-10-20/h6-8,11,13,15-16,18,20,23H,3-5,9-10,12,14,17H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyNIALZUCWIQSELY-UHFFFAOYSA-N
XLogP3.94
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211272) is N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide is CC(C)CCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is NIALZUCWIQSELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-18(2)12-14-29(22(30)17-27-24(31)21-11-7-15-33-21)23(19-8-6-13-26-16-19)25(32)28-20-9-4-3-5-10-20/h6-8,11,13,15-16,18,20,23H,3-5,9-10,12,14,17H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 470.64 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-(3-methylbutyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).