N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide

C9H16N2O — CID 13141783

IUPACN-propyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCNC(=O)N1CC=CCC1
InChIInChI=1S/C9H16N2O/c1-2-6-10-9(12)11-7-4-3-5-8-11/h3-4H,2,5-8H2,1H3,(H,10,12)
InChIKeyMOLLVIKXVXKVBH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds2

About N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 13141783) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-propyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID13141783
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-propyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCNC(=O)N1CC=CCC1
InChIInChI=1S/C9H16N2O/c1-2-6-10-9(12)11-7-4-3-5-8-11/h3-4H,2,5-8H2,1H3,(H,10,12)
InChIKeyMOLLVIKXVXKVBH-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]heptanoic acid
CID 114411541
N-(2,2-difluoroethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 131224020
2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethoxy]acetic acid
CID 114411797
N-pentyl-2,5-dihydropyrrole-1-carboxamide
CID 3824227
N-prop-2-enyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 130725756
2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
CID 114411673
(2R)-2-(3,6-dihydro-2H-pyridine-1-carbonylamino)pentanoic acid
CID 107567733
2-[[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 114411753
2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]benzoic acid
CID 114411789
2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-2-ethylbutanoic acid
CID 114411633
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
(3R)-3-methyl-N-propylpiperazine-1-carboxamide
CID 104974924

Frequently Asked Questions

What is the IUPAC name of N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 13141783) is N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide is CCCNC(=O)N1CC=CCC1.
What is the InChIKey of N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MOLLVIKXVXKVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-6-10-9(12)11-7-4-3-5-8-11/h3-4H,2,5-8H2,1H3,(H,10,12).
What are the key properties of N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 168.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 13141783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).