N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide

C14H19N3O3 — CID 47050221

IUPACN-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)Nc1c[nH]ccc1=O
InChIInChI=1S/C14H19N3O3/c18-12-5-7-15-9-11(12)17-13(19)6-8-16-14(20)10-3-1-2-4-10/h5,7,9-10H,1-4,6,8H2,(H,15,18)(H,16,20)(H,17,19)
InChIKeyWLZXCUPLRPJGHX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.01
Rot. Bonds5

About N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide

N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide (PubChem CID 47050221) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide
PubChem CID47050221
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide
SMILESO=C(CCNC(=O)C1CCCC1)Nc1c[nH]ccc1=O
InChIInChI=1S/C14H19N3O3/c18-12-5-7-15-9-11(12)17-13(19)6-8-16-14(20)10-3-1-2-4-10/h5,7,9-10H,1-4,6,8H2,(H,15,18)(H,16,20)(H,17,19)
InChIKeyWLZXCUPLRPJGHX-UHFFFAOYSA-N
XLogP1.01
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide (CID 47050221) is N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide is O=C(CCNC(=O)C1CCCC1)Nc1c[nH]ccc1=O.
What is the InChIKey of N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide?
The InChIKey is WLZXCUPLRPJGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-5-7-15-9-11(12)17-13(19)6-8-16-14(20)10-3-1-2-4-10/h5,7,9-10H,1-4,6,8H2,(H,15,18)(H,16,20)(H,17,19).
What are the key properties of N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide?
N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide has a molecular weight of 277.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]cyclopentanecarboxamide is sourced from PubChem (CID 47050221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).