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

C27H30N4O4 — CID 644741

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1C
InChIInChI=1S/C27H30N4O4/c1-18-11-12-22(15-19(18)2)31(24(32)17-29-26(33)23-10-6-14-35-23)25(20-7-5-13-28-16-20)27(34)30-21-8-3-4-9-21/h5-7,10-16,21,25H,3-4,8-9,17H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyWNSPKAMFBKRPNB-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.85
Rot. Bonds8

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

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 644741) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID644741
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1C
InChIInChI=1S/C27H30N4O4/c1-18-11-12-22(15-19(18)2)31(24(32)17-29-26(33)23-10-6-14-35-23)25(20-7-5-13-28-16-20)27(34)30-21-8-3-4-9-21/h5-7,10-16,21,25H,3-4,8-9,17H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyWNSPKAMFBKRPNB-UHFFFAOYSA-N
XLogP3.85
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.85
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]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide (CID 644741) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide is Cc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)cc1C.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WNSPKAMFBKRPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-18-11-12-22(15-19(18)2)31(24(32)17-29-26(33)23-10-6-14-35-23)25(20-7-5-13-28-16-20)27(34)30-21-8-3-4-9-21/h5-7,10-16,21,25H,3-4,8-9,17H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 474.56 g/mol, XLogP of 3.85, 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]-3,4-dimethylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 644741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).