N-butyl-3,4-dihydropyridine-3-carboxamide

C10H16N2O — CID 130218186

IUPACN-butyl-3,4-dihydropyridine-3-carboxamide
SMILESCCCCNC(=O)C1C=NC=CC1
InChIInChI=1S/C10H16N2O/c1-2-3-7-12-10(13)9-5-4-6-11-8-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,13)
InChIKeyXQWVWKZYPJMMRI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.51
Rot. Bonds4

About N-butyl-3,4-dihydropyridine-3-carboxamide

N-butyl-3,4-dihydropyridine-3-carboxamide (PubChem CID 130218186) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N-butyl-3,4-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-3,4-dihydropyridine-3-carboxamide
PubChem CID130218186
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN-butyl-3,4-dihydropyridine-3-carboxamide
SMILESCCCCNC(=O)C1C=NC=CC1
InChIInChI=1S/C10H16N2O/c1-2-3-7-12-10(13)9-5-4-6-11-8-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,13)
InChIKeyXQWVWKZYPJMMRI-UHFFFAOYSA-N
XLogP1.51
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-hydroxyethyl)-3,4-dihydropyridine-3-carboxamide
CID 69529527
N-[2-(4-methyl-3H-pyridin-4-yl)ethyl]acetamide
CID 70285295
N-[2-[4-(3,4-dihydropyridin-3-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70285607
N-[2-[4-(3,4-dihydropyridin-4-ylmethyl)piperazin-1-yl]ethyl]acetamide
CID 70287461
N-[2-[4-(3,4-dihydropyridine-4-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70287839
N-[2-[4-(3,4-dihydropyridine-3-carbonyl)piperazin-1-yl]ethyl]acetamide
CID 70289168
N-[(3R)-3-methyl-3,4-dihydropyridin-4-yl]acetamide
CID 89313763

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,4-dihydropyridine-3-carboxamide?
The IUPAC name of N-butyl-3,4-dihydropyridine-3-carboxamide (CID 130218186) is N-butyl-3,4-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-butyl-3,4-dihydropyridine-3-carboxamide?
The canonical SMILES for N-butyl-3,4-dihydropyridine-3-carboxamide is CCCCNC(=O)C1C=NC=CC1.
What is the InChIKey of N-butyl-3,4-dihydropyridine-3-carboxamide?
The InChIKey is XQWVWKZYPJMMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-7-12-10(13)9-5-4-6-11-8-9/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,13).
What are the key properties of N-butyl-3,4-dihydropyridine-3-carboxamide?
N-butyl-3,4-dihydropyridine-3-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,4-dihydropyridine-3-carboxamide is sourced from PubChem (CID 130218186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).