N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide

C19H25N3O — CID 109239914

IUPACN-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(NCCC(C)C)c2)c(C)c1
InChIInChI=1S/C19H25N3O/c1-13(2)7-8-21-17-10-16(11-20-12-17)19(23)22-18-6-5-14(3)9-15(18)4/h5-6,9-13,21H,7-8H2,1-4H3,(H,22,23)
InChIKeyJHTPVILYHOFYAV-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.41
Rot. Bonds6

About N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide

N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109239914) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109239914
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(NCCC(C)C)c2)c(C)c1
InChIInChI=1S/C19H25N3O/c1-13(2)7-8-21-17-10-16(11-20-12-17)19(23)22-18-6-5-14(3)9-15(18)4/h5-6,9-13,21H,7-8H2,1-4H3,(H,22,23)
InChIKeyJHTPVILYHOFYAV-UHFFFAOYSA-N
XLogP4.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109239926
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671
N-(2,4-dimethylphenyl)-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239101
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-(2,4-dimethylphenyl)-5-[2-(3-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236799
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
N-(2,5-dimethoxyphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239954
N-(2,4-dimethylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234506
N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969
N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960019

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide (CID 109239914) is N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(NCCC(C)C)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is JHTPVILYHOFYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-13(2)7-8-21-17-10-16(11-20-12-17)19(23)22-18-6-5-14(3)9-15(18)4/h5-6,9-13,21H,7-8H2,1-4H3,(H,22,23).
What are the key properties of N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109239914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).