N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide

C14H23N3O — CID 62179912

IUPACN-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC(C)(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-5-7-15-12-9-11(6-8-16-12)13(18)17-10-14(2,3)4/h6,8-9H,5,7,10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyZCLWQVYOAHOUAO-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.68
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide

N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 62179912) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID62179912
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCC(C)(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-5-7-15-12-9-11(6-8-16-12)13(18)17-10-14(2,3)4/h6,8-9H,5,7,10H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyZCLWQVYOAHOUAO-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62186803
N-[2-(dimethylamino)-2-methylpropyl]-2-(propylamino)pyridine-4-carboxamide
CID 62177285
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62170975
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284
N-(4-amino-4-oxobutyl)-2-(propylamino)pyridine-4-carboxamide
CID 55046885
N-(2-methylbutyl)-2-(propylamino)pyridine-4-carboxamide
CID 62694218
N-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 55047201
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62640587
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
N-(furan-2-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62172710

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide (CID 62179912) is N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCC(C)(C)C)ccn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is ZCLWQVYOAHOUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-7-15-12-9-11(6-8-16-12)13(18)17-10-14(2,3)4/h6,8-9H,5,7,10H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide?
N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62179912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).