N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C25H33N5O4S — CID 648858

IUPACN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CCN1CCOCC1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H33N5O4S/c31-22(18-27-24(32)21-8-4-16-35-21)30(11-10-29-12-14-34-15-13-29)23(19-5-3-9-26-17-19)25(33)28-20-6-1-2-7-20/h3-5,8-9,16-17,20,23H,1-2,6-7,10-15,18H2,(H,27,32)(H,28,33)
InChIKeyRTHRSEYHNPHYCZ-UHFFFAOYSA-N
MW499.64 g/mol
LogP1.83
Rot. Bonds10

About N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 648858) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID648858
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(NCC(=O)N(CCN1CCOCC1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1
InChIInChI=1S/C25H33N5O4S/c31-22(18-27-24(32)21-8-4-16-35-21)30(11-10-29-12-14-34-15-13-29)23(19-5-3-9-26-17-19)25(33)28-20-6-1-2-7-20/h3-5,8-9,16-17,20,23H,1-2,6-7,10-15,18H2,(H,27,32)(H,28,33)
InChIKeyRTHRSEYHNPHYCZ-UHFFFAOYSA-N
XLogP1.83
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 648858) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(NCC(=O)N(CCN1CCOCC1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is RTHRSEYHNPHYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c31-22(18-27-24(32)21-8-4-16-35-21)30(11-10-29-12-14-34-15-13-29)23(19-5-3-9-26-17-19)25(33)28-20-6-1-2-7-20/h3-5,8-9,16-17,20,23H,1-2,6-7,10-15,18H2,(H,27,32)(H,28,33).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 1.83, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-morpholin-4-ylethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 648858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).