1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide

C10H18N2O — CID 137350158

IUPAC1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide
SMILESCCCCN1C=C(C(N)=O)CCC1
InChIInChI=1S/C10H18N2O/c1-2-3-6-12-7-4-5-9(8-12)10(11)13/h8H,2-7H2,1H3,(H2,11,13)
InChIKeyQWLZGRCLLUCDGU-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.25
Rot. Bonds4

About 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide

1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide (PubChem CID 137350158) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide
PubChem CID137350158
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide
SMILESCCCCN1C=C(C(N)=O)CCC1
InChIInChI=1S/C10H18N2O/c1-2-3-6-12-7-4-5-9(8-12)10(11)13/h8H,2-7H2,1H3,(H2,11,13)
InChIKeyQWLZGRCLLUCDGU-UHFFFAOYSA-N
XLogP1.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide?
The IUPAC name of 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide (CID 137350158) is 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide.
What is the SMILES notation for 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide?
The canonical SMILES for 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide is CCCCN1C=C(C(N)=O)CCC1.
What is the InChIKey of 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide?
The InChIKey is QWLZGRCLLUCDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-6-12-7-4-5-9(8-12)10(11)13/h8H,2-7H2,1H3,(H2,11,13).
What are the key properties of 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide?
1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-dihydro-2H-pyridine-5-carboxamide is sourced from PubChem (CID 137350158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).