N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide

C18H29N3O2 — CID 140570594

IUPACN-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESCCCCCCCCc1ccc(NC(=O)C2CCCN2)c(=O)[nH]1
InChIInChI=1S/C18H29N3O2/c1-2-3-4-5-6-7-9-14-11-12-16(18(23)20-14)21-17(22)15-10-8-13-19-15/h11-12,15,19H,2-10,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyRMTPUCYSBWAQDZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.97
Rot. Bonds9

About N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide

N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 140570594) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide
PubChem CID140570594
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESCCCCCCCCc1ccc(NC(=O)C2CCCN2)c(=O)[nH]1
InChIInChI=1S/C18H29N3O2/c1-2-3-4-5-6-7-9-14-11-12-16(18(23)20-14)21-17(22)15-10-8-13-19-15/h11-12,15,19H,2-10,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyRMTPUCYSBWAQDZ-UHFFFAOYSA-N
XLogP2.97
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide (CID 140570594) is N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide is CCCCCCCCc1ccc(NC(=O)C2CCCN2)c(=O)[nH]1.
What is the InChIKey of N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is RMTPUCYSBWAQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-3-4-5-6-7-9-14-11-12-16(18(23)20-14)21-17(22)15-10-8-13-19-15/h11-12,15,19H,2-10,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide?
N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-octyl-2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 140570594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).