N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide

C11H16N2O2 — CID 144507815

IUPACN-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide
SMILESCC(=O)CCCNC(=O)C1C=NC=CC1
InChIInChI=1S/C11H16N2O2/c1-9(14)4-2-7-13-11(15)10-5-3-6-12-8-10/h3,6,8,10H,2,4-5,7H2,1H3,(H,13,15)
InChIKeyYCNWBYCXPIHHHT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.08
Rot. Bonds5

About N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide

N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide (PubChem CID 144507815) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide
PubChem CID144507815
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide
SMILESCC(=O)CCCNC(=O)C1C=NC=CC1
InChIInChI=1S/C11H16N2O2/c1-9(14)4-2-7-13-11(15)10-5-3-6-12-8-10/h3,6,8,10H,2,4-5,7H2,1H3,(H,13,15)
InChIKeyYCNWBYCXPIHHHT-UHFFFAOYSA-N
XLogP1.08
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl(propyl)amino]ethyl]-3,4-dihydropyridine-4-carboxamide
CID 66665544
4-oxo-N-propyl-3H-pyridine-3-carboxamide
CID 67941051
N-prop-2-enyl-3,4-dihydropyridine-3-carboxamide
CID 69327971
N-methyl-3,4-dihydropyridine-3-carboxamide
CID 69523407
N-propan-2-yl-3,4-dihydropyridine-3-carboxamide
CID 69528979
N-butyl-3,4-dihydropyridine-3-carboxamide
CID 130218186
N-(3,4-dihydropyridin-4-ylmethyl)-2,2-dimethylhexanamide
CID 134570627
molecular hydrogen;N-[3-(3H-pyrrol-3-yl)propyl]propanamide
CID 142069991
N-[2-(3,4-dihydropyridin-3-yl)ethyl]-3-(ethenylamino)-2-oxohexanamide
CID 145466024
N-(3,4-dihydropyridin-4-ylmethyl)acetamide
CID 153184611
N-[3-(3H-pyrrol-3-yl)propyl]propanamide
CID 142069992

Frequently Asked Questions

What is the IUPAC name of N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide?
The IUPAC name of N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide (CID 144507815) is N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide?
The canonical SMILES for N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide is CC(=O)CCCNC(=O)C1C=NC=CC1.
What is the InChIKey of N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide?
The InChIKey is YCNWBYCXPIHHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(14)4-2-7-13-11(15)10-5-3-6-12-8-10/h3,6,8,10H,2,4-5,7H2,1H3,(H,13,15).
What are the key properties of N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide?
N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxopentyl)-3,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 144507815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).