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

C24H30N4O5 — CID 645184

IUPACN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1
InChIInChI=1S/C24H30N4O5/c29-21(15-26-23(30)20-10-5-13-33-20)28(16-19-9-4-12-32-19)22(17-6-3-11-25-14-17)24(31)27-18-7-1-2-8-18/h3,5-6,10-11,13-14,18-19,22H,1-2,4,7-9,12,15-16H2,(H,26,30)(H,27,31)
InChIKeyBKUOGPOVSUYCLB-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.21
Rot. Bonds9

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

N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 645184) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID645184
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC NameN-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1
InChIInChI=1S/C24H30N4O5/c29-21(15-26-23(30)20-10-5-13-33-20)28(16-19-9-4-12-32-19)22(17-6-3-11-25-14-17)24(31)27-18-7-1-2-8-18/h3,5-6,10-11,13-14,18-19,22H,1-2,4,7-9,12,15-16H2,(H,26,30)(H,27,31)
InChIKeyBKUOGPOVSUYCLB-UHFFFAOYSA-N
XLogP2.21
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.21
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-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide (CID 645184) is N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1.
What is the InChIKey of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is BKUOGPOVSUYCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c29-21(15-26-23(30)20-10-5-13-33-20)28(16-19-9-4-12-32-19)22(17-6-3-11-25-14-17)24(31)27-18-7-1-2-8-18/h3,5-6,10-11,13-14,18-19,22H,1-2,4,7-9,12,15-16H2,(H,26,30)(H,27,31).
What are the key properties of N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 2.21, 9 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-3-ylethyl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 645184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).