N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

C23H30N4O3S — CID 3211116

IUPACN-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C23H30N4O3S/c1-2-3-14-27(20(28)16-25-22(29)19-9-6-15-31-19)21(17-10-12-24-13-11-17)23(30)26-18-7-4-5-8-18/h6,9-13,15,18,21H,2-5,7-8,14,16H2,1H3,(H,25,29)(H,26,30)
InChIKeyCCCDBLMUQKDERP-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.30
Rot. Bonds10

About N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211116) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211116
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCCCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
InChIInChI=1S/C23H30N4O3S/c1-2-3-14-27(20(28)16-25-22(29)19-9-6-15-31-19)21(17-10-12-24-13-11-17)23(30)26-18-7-4-5-8-18/h6,9-13,15,18,21H,2-5,7-8,14,16H2,1H3,(H,25,29)(H,26,30)
InChIKeyCCCDBLMUQKDERP-UHFFFAOYSA-N
XLogP3.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 3211116) is N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is CCCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1.
What is the InChIKey of N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is CCCDBLMUQKDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c1-2-3-14-27(20(28)16-25-22(29)19-9-6-15-31-19)21(17-10-12-24-13-11-17)23(30)26-18-7-4-5-8-18/h6,9-13,15,18,21H,2-5,7-8,14,16H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 442.59 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).