N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide

C15H23N3O — CID 105071385

IUPACN-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCCC1CC1
InChIInChI=1S/C15H23N3O/c1-2-8-17-14-11-16-10-7-13(14)15(19)18-9-3-4-12-5-6-12/h7,10-12,17H,2-6,8-9H2,1H3,(H,18,19)
InChIKeyDJKCOESGRZCYJJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.82
Rot. Bonds8

About N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide

N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105071385) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105071385
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCCCC1CC1
InChIInChI=1S/C15H23N3O/c1-2-8-17-14-11-16-10-7-13(14)15(19)18-9-3-4-12-5-6-12/h7,10-12,17H,2-6,8-9H2,1H3,(H,18,19)
InChIKeyDJKCOESGRZCYJJ-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
N-[3-(dimethylamino)propyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068347
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169
N-(oxolan-2-ylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068089
3-(propylamino)-N-(thiolan-2-ylmethyl)pyridine-4-carboxamide
CID 105070782
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
N-[2-(dimethylsulfamoyl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 106342677

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide (CID 105071385) is N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCCCC1CC1.
What is the InChIKey of N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is DJKCOESGRZCYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-8-17-14-11-16-10-7-13(14)15(19)18-9-3-4-12-5-6-12/h7,10-12,17H,2-6,8-9H2,1H3,(H,18,19).
What are the key properties of N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide?
N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylpropyl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).