2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide

C10H19N3O — CID 70353666

IUPAC2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCCNC(=O)N1CC=CCC1N
InChIInChI=1S/C10H19N3O/c1-2-3-7-12-10(14)13-8-5-4-6-9(13)11/h4-5,9H,2-3,6-8,11H2,1H3,(H,12,14)
InChIKeyYCLSLMXJZVXLDB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.04
Rot. Bonds3

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

2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 70353666) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID70353666
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCCNC(=O)N1CC=CCC1N
InChIInChI=1S/C10H19N3O/c1-2-3-7-12-10(14)13-8-5-4-6-9(13)11/h4-5,9H,2-3,6-8,11H2,1H3,(H,12,14)
InChIKeyYCLSLMXJZVXLDB-UHFFFAOYSA-N
XLogP1.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 70353666) is 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide is CCCCNC(=O)N1CC=CCC1N.
What is the InChIKey of 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is YCLSLMXJZVXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-3-7-12-10(14)13-8-5-4-6-9(13)11/h4-5,9H,2-3,6-8,11H2,1H3,(H,12,14).
What are the key properties of 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide?
2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 197.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-butyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 70353666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).