N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide

C21H29N3O — CID 109239678

IUPACN-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CCNc1cncc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C21H29N3O/c1-16(2)10-11-23-20-12-19(13-22-14-20)21(25)24(17(3)4)15-18-8-6-5-7-9-18/h5-9,12-14,16-17,23H,10-11,15H2,1-4H3
InChIKeyZMDMBKAEHDABKO-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.59
Rot. Bonds8

About N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide

N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109239678) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109239678
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CCNc1cncc(C(=O)N(Cc2ccccc2)C(C)C)c1
InChIInChI=1S/C21H29N3O/c1-16(2)10-11-23-20-12-19(13-22-14-20)21(25)24(17(3)4)15-18-8-6-5-7-9-18/h5-9,12-14,16-17,23H,10-11,15H2,1-4H3
InChIKeyZMDMBKAEHDABKO-UHFFFAOYSA-N
XLogP4.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109239728
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106106
(4-benzylpiperazin-1-yl)-[5-(3-methylbutylamino)-3-pyridinyl]methanone
CID 109237466
N-[2-(3-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239903
N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
N-[2-(3-methoxyphenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109236720
N-[2-(4-chlorophenyl)ethyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109237784
N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109227244
N-[4-(dimethylamino)phenyl]-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239969
N-butan-2-yl-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109225189
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide (CID 109239678) is N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide is CC(C)CCNc1cncc(C(=O)N(Cc2ccccc2)C(C)C)c1.
What is the InChIKey of N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is ZMDMBKAEHDABKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16(2)10-11-23-20-12-19(13-22-14-20)21(25)24(17(3)4)15-18-8-6-5-7-9-18/h5-9,12-14,16-17,23H,10-11,15H2,1-4H3.
What are the key properties of N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide?
N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109239678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).