N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide

C28H27N5O4 — CID 648592

IUPACN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1cnc2ccccc2c1)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1
InChIInChI=1S/C28H27N5O4/c34-25(18-31-27(35)24-10-5-15-37-24)33(22-16-20-6-1-4-9-23(20)30-17-22)26(19-11-13-29-14-12-19)28(36)32-21-7-2-3-8-21/h1,4-6,9-17,21,26H,2-3,7-8,18H2,(H,31,35)(H,32,36)
InChIKeyXEWNVIRVTFORAY-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.79
Rot. Bonds8

About N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 648592) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID648592
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(c1cnc2ccccc2c1)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1
InChIInChI=1S/C28H27N5O4/c34-25(18-31-27(35)24-10-5-15-37-24)33(22-16-20-6-1-4-9-23(20)30-17-22)26(19-11-13-29-14-12-19)28(36)32-21-7-2-3-8-21/h1,4-6,9-17,21,26H,2-3,7-8,18H2,(H,31,35)(H,32,36)
InChIKeyXEWNVIRVTFORAY-UHFFFAOYSA-N
XLogP3.79
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide (CID 648592) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(c1cnc2ccccc2c1)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is XEWNVIRVTFORAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c34-25(18-31-27(35)24-10-5-15-37-24)33(22-16-20-6-1-4-9-23(20)30-17-22)26(19-11-13-29-14-12-19)28(36)32-21-7-2-3-8-21/h1,4-6,9-17,21,26H,2-3,7-8,18H2,(H,31,35)(H,32,36).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 497.56 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-quinolin-3-ylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 648592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).