N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide

C25H26N4O3S — CID 3211145

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H26N4O3S/c30-22(17-27-24(31)21-13-7-15-33-21)29(20-11-2-1-3-12-20)23(18-8-6-14-26-16-18)25(32)28-19-9-4-5-10-19/h1-3,6-8,11-16,19,23H,4-5,9-10,17H2,(H,27,31)(H,28,32)
InChIKeySEGUFPBABSHEBQ-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.71
Rot. Bonds8

About N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 3211145) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID3211145
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H26N4O3S/c30-22(17-27-24(31)21-13-7-15-33-21)29(20-11-2-1-3-12-20)23(18-8-6-14-26-16-18)25(32)28-19-9-4-5-10-19/h1-3,6-8,11-16,19,23H,4-5,9-10,17H2,(H,27,31)(H,28,32)
InChIKeySEGUFPBABSHEBQ-UHFFFAOYSA-N
XLogP3.71
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide (CID 3211145) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is SEGUFPBABSHEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c30-22(17-27-24(31)21-13-7-15-33-21)29(20-11-2-1-3-12-20)23(18-8-6-14-26-16-18)25(32)28-19-9-4-5-10-19/h1-3,6-8,11-16,19,23H,4-5,9-10,17H2,(H,27,31)(H,28,32).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]anilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 3211145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).