N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide

C27H30N4O4 — CID 650641

IUPACN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1
InChIInChI=1S/C27H30N4O4/c32-24(19-29-26(33)23-13-7-17-35-23)31(16-14-20-8-2-1-3-9-20)25(21-10-6-15-28-18-21)27(34)30-22-11-4-5-12-22/h1-3,6-10,13,15,17-18,22,25H,4-5,11-12,14,16,19H2,(H,29,33)(H,30,34)
InChIKeyGCMITHSNTLSZTM-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.28
Rot. Bonds10

About N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 650641) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID650641
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1
InChIInChI=1S/C27H30N4O4/c32-24(19-29-26(33)23-13-7-17-35-23)31(16-14-20-8-2-1-3-9-20)25(21-10-6-15-28-18-21)27(34)30-22-11-4-5-12-22/h1-3,6-10,13,15,17-18,22,25H,4-5,11-12,14,16,19H2,(H,29,33)(H,30,34)
InChIKeyGCMITHSNTLSZTM-UHFFFAOYSA-N
XLogP3.28
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 650641) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is GCMITHSNTLSZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c32-24(19-29-26(33)23-13-7-17-35-23)31(16-14-20-8-2-1-3-9-20)25(21-10-6-15-28-18-21)27(34)30-22-11-4-5-12-22/h1-3,6-10,13,15,17-18,22,25H,4-5,11-12,14,16,19H2,(H,29,33)(H,30,34).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 650641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).