N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide

C14H21N3O — CID 105071339

IUPACN-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)C1CCC1
InChIInChI=1S/C14H21N3O/c1-3-8-16-13-10-15-9-7-12(13)14(18)17(2)11-5-4-6-11/h7,9-11,16H,3-6,8H2,1-2H3
InChIKeyHWGIKNOOJKQAPY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds5

About N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide

N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105071339) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
PubChem CID105071339
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)N(C)C1CCC1
InChIInChI=1S/C14H21N3O/c1-3-8-16-13-10-15-9-7-12(13)14(18)17(2)11-5-4-6-11/h7,9-11,16H,3-6,8H2,1-2H3
InChIKeyHWGIKNOOJKQAPY-UHFFFAOYSA-N
XLogP2.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105070142
N-cyclobutyl-3-hydrazinyl-N-methylpyridine-4-carboxamide
CID 105072506
N-(cyclopropylmethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068880
N-methyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937266
N-cyclopropyl-N-methyl-2-(propylamino)benzamide
CID 62169629
N-(2-cyanoethyl)-N-cyclopropyl-3-(propylamino)pyridine-4-carboxamide
CID 105069192
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
[3-(dimethylamino)pyrrolidin-1-yl]-[3-(propylamino)-4-pyridinyl]methanone
CID 105070018
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
N-ethyl-3-(propylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 106937503
N-(2-cyanoethyl)-N-methyl-3-(propylamino)pyridine-4-carboxamide
CID 105068056

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide (CID 105071339) is N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)N(C)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is HWGIKNOOJKQAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-8-16-13-10-15-9-7-12(13)14(18)17(2)11-5-4-6-11/h7,9-11,16H,3-6,8H2,1-2H3.
What are the key properties of N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide?
N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-methyl-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105071339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).