N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide

C18H23N3O — CID 109155596

IUPACN-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-14(2)10-11-19-17-9-8-16(13-20-17)18(22)21-12-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyJCKFPVGTXRTYOI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.47
Rot. Bonds7

About N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide

N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide (PubChem CID 109155596) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
PubChem CID109155596
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)NCc2ccccc2)cn1
InChIInChI=1S/C18H23N3O/c1-14(2)10-11-19-17-9-8-16(13-20-17)18(22)21-12-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyJCKFPVGTXRTYOI-UHFFFAOYSA-N
XLogP3.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109157472
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
N-[(3-methylphenyl)methyl]-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109155882
6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
(4-benzylpiperazin-1-yl)-[6-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109159553
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109257600
6-(3-methylbutylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109161164
6-(4-methylpentylamino)pyridine-3-carboxylic acid
CID 63002439
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide (CID 109155596) is N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide is CC(C)CCNc1ccc(C(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide?
The InChIKey is JCKFPVGTXRTYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14(2)10-11-19-17-9-8-16(13-20-17)18(22)21-12-15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide?
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109155596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).