3-propyl-2,3-dihydropyridine-4-carboxamide

C9H14N2O — CID 142050785

IUPAC3-propyl-2,3-dihydropyridine-4-carboxamide
SMILESCCCC1CN=CC=C1C(N)=O
InChIInChI=1S/C9H14N2O/c1-2-3-7-6-11-5-4-8(7)9(10)12/h4-5,7H,2-3,6H2,1H3,(H2,10,12)
InChIKeyWPXKNUVMDLYTQS-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.90
Rot. Bonds3

About 3-propyl-2,3-dihydropyridine-4-carboxamide

3-propyl-2,3-dihydropyridine-4-carboxamide (PubChem CID 142050785) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-propyl-2,3-dihydropyridine-4-carboxamide.

Molecular Properties

Compound Name3-propyl-2,3-dihydropyridine-4-carboxamide
PubChem CID142050785
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-propyl-2,3-dihydropyridine-4-carboxamide
SMILESCCCC1CN=CC=C1C(N)=O
InChIInChI=1S/C9H14N2O/c1-2-3-7-6-11-5-4-8(7)9(10)12/h4-5,7H,2-3,6H2,1H3,(H2,10,12)
InChIKeyWPXKNUVMDLYTQS-UHFFFAOYSA-N
XLogP0.90
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67765123
5,7a-dihydro-4aH-cyclopenta[b]pyridine-6-carboxamide
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4a,5,8,10a-Tetrahydropyrido[2,3-b]azocine-6-carboxamide
CID 91467094
3-(2-Methylpropyl)pyrrol-2-one
CID 141393042
3-Methyl-2,3-dihydropyridine-4-carboxamide
CID 148328252
4-(2-methylpropyl)-3H-pyridin-2-one
CID 148639558
(2E)-2-ethylidene-4-methanimidoylhexanamide
CID 167093885
3-(2-Ethylhexyl)pyrrol-2-one
CID 178258921

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2,3-dihydropyridine-4-carboxamide?
The IUPAC name of 3-propyl-2,3-dihydropyridine-4-carboxamide (CID 142050785) is 3-propyl-2,3-dihydropyridine-4-carboxamide.
What is the SMILES notation for 3-propyl-2,3-dihydropyridine-4-carboxamide?
The canonical SMILES for 3-propyl-2,3-dihydropyridine-4-carboxamide is CCCC1CN=CC=C1C(N)=O.
What is the InChIKey of 3-propyl-2,3-dihydropyridine-4-carboxamide?
The InChIKey is WPXKNUVMDLYTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-3-7-6-11-5-4-8(7)9(10)12/h4-5,7H,2-3,6H2,1H3,(H2,10,12).
What are the key properties of 3-propyl-2,3-dihydropyridine-4-carboxamide?
3-propyl-2,3-dihydropyridine-4-carboxamide has a molecular weight of 166.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2,3-dihydropyridine-4-carboxamide is sourced from PubChem (CID 142050785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).