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

C26H28N4O4 — CID 655816

IUPACN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1
InChIInChI=1S/C26H28N4O4/c1-18-7-4-11-21(15-18)30(23(31)17-28-25(32)22-12-6-14-34-22)24(19-8-5-13-27-16-19)26(33)29-20-9-2-3-10-20/h4-8,11-16,20,24H,2-3,9-10,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyRIAKQKWUFTXBRX-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.55
Rot. Bonds8

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

N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 655816) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID655816
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1
InChIInChI=1S/C26H28N4O4/c1-18-7-4-11-21(15-18)30(23(31)17-28-25(32)22-12-6-14-34-22)24(19-8-5-13-27-16-19)26(33)29-20-9-2-3-10-20/h4-8,11-16,20,24H,2-3,9-10,17H2,1H3,(H,28,32)(H,29,33)
InChIKeyRIAKQKWUFTXBRX-UHFFFAOYSA-N
XLogP3.55
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.55
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-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide (CID 655816) is N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide is Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1.
What is the InChIKey of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is RIAKQKWUFTXBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-18-7-4-11-21(15-18)30(23(31)17-28-25(32)22-12-6-14-34-22)24(19-8-5-13-27-16-19)26(33)29-20-9-2-3-10-20/h4-8,11-16,20,24H,2-3,9-10,17H2,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(N-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 3.55, 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-methylanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 655816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).