4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide

C13H21N3O — CID 81236445

IUPAC4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
SMILESCCCCCN(C)C(=O)c1cnc(C)cc1N
InChIInChI=1S/C13H21N3O/c1-4-5-6-7-16(3)13(17)11-9-15-10(2)8-12(11)14/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKeyPIZCSMJTIBDIEV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.23
Rot. Bonds5

About 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide

4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide (PubChem CID 81236445) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
PubChem CID81236445
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide
SMILESCCCCCN(C)C(=O)c1cnc(C)cc1N
InChIInChI=1S/C13H21N3O/c1-4-5-6-7-16(3)13(17)11-9-15-10(2)8-12(11)14/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKeyPIZCSMJTIBDIEV-UHFFFAOYSA-N
XLogP2.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-butyl-N,6-dimethylpyridine-3-carboxamide
CID 81234919
4-amino-N,N-diethyl-6-methylpyridine-3-carboxamide
CID 81236376
4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81245737
4-amino-N,6-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 81245334
4-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 114953067
2-amino-4-methoxy-N-methyl-N-pentylbenzamide
CID 113305128
3-amino-2,5-difluoro-N-methyl-N-pentylbenzamide
CID 107120492
4-amino-6-methyl-N,N-bis(3-methylbutyl)pyridine-3-carboxamide
CID 107871048
4-amino-N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridine-3-carboxamide
CID 81240859
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81239796
4-amino-6-methyl-N-octan-2-ylpyridine-3-carboxamide
CID 81243070
4-amino-N,3-dimethyl-N-pentylbenzamide
CID 43294398

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide (CID 81236445) is 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide is CCCCCN(C)C(=O)c1cnc(C)cc1N.
What is the InChIKey of 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide?
The InChIKey is PIZCSMJTIBDIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-5-6-7-16(3)13(17)11-9-15-10(2)8-12(11)14/h8-9H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide?
4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,6-dimethyl-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 81236445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).