N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide

C14H23N3O — CID 63925495

IUPACN-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(C)CCC(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-10(2)5-6-11(3)17-12-7-8-16-13(9-12)14(18)15-4/h7-11H,5-6H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyKFIUDOOEPCGUJL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.68
Rot. Bonds6

About N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide

N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide (PubChem CID 63925495) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
PubChem CID63925495
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(C)CCC(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-10(2)5-6-11(3)17-12-7-8-16-13(9-12)14(18)15-4/h7-11H,5-6H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyKFIUDOOEPCGUJL-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

3-[[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoic acid
CID 43517687
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
4-[(1-hydroxy-4-methylpentan-2-yl)amino]-N-methylpyridine-2-carboxamide
CID 61245711
N-ethyl-4-(hexan-2-ylamino)pyridine-2-carboxamide
CID 62200054
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104
4-(hex-1-yn-3-ylamino)-N-methylpyridine-2-carboxamide
CID 114161466
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
N-methyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43683632
1-[4-(1-hydroxypropan-2-ylamino)-2-pyridinyl]ethanone
CID 130645621
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
4-(4-aminobutan-2-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 83180429
4-[4-(dimethylamino)butan-2-ylamino]pyridine-2-carboxamide
CID 54968476

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide (CID 63925495) is N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide is CNC(=O)c1cc(NC(C)CCC(C)C)ccn1.
What is the InChIKey of N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is KFIUDOOEPCGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)5-6-11(3)17-12-7-8-16-13(9-12)14(18)15-4/h7-11H,5-6H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide?
N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(5-methylhexan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63925495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).