4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide

C17H29N3O — CID 107871048

IUPAC4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)N(CCC(C)C)CCC(C)C)cn1
InChIInChI=1S/C17H29N3O/c1-12(2)6-8-20(9-7-13(3)4)17(21)15-11-19-14(5)10-16(15)18/h10-13H,6-9H2,1-5H3,(H2,18,19)
InChIKeyZCYGJLXQSFBSPV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.51
Rot. Bonds7

About 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide

4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide (PubChem CID 107871048) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide
PubChem CID107871048
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)N(CCC(C)C)CCC(C)C)cn1
InChIInChI=1S/C17H29N3O/c1-12(2)6-8-20(9-7-13(3)4)17(21)15-11-19-14(5)10-16(15)18/h10-13H,6-9H2,1-5H3,(H2,18,19)
InChIKeyZCYGJLXQSFBSPV-UHFFFAOYSA-N
XLogP3.51
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethylnicotinamide
CID 5497
N'-Methylnicotinamide
CID 64950
1-Methylnicotinamide
CID 457
N-Ethylnicotinamide
CID 78007
N-(4-pyridyl)benzamide
CID 78893
3-Acetyl-6-methylpyridine
CID 95292
3-Carbamyl-1-methylpyridinium Chloride
CID 70495
Nicotinanilide
CID 74463
4-Methyl-N-4-pyridinylbenzamide
CID 84517
Phenatine
CID 120640
6-Methylnicotinamide
CID 96351
N,N-Dimethylnicotinamide
CID 81444

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide (CID 107871048) is 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide is Cc1cc(N)c(C(=O)N(CCC(C)C)CCC(C)C)cn1.
What is the InChIKey of 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is ZCYGJLXQSFBSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)6-8-20(9-7-13(3)4)17(21)15-11-19-14(5)10-16(15)18/h10-13H,6-9H2,1-5H3,(H2,18,19).
What are the key properties of 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide?
4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 107871048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).