2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide

C15H25N3O — CID 62174306

IUPAC2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCN(C(=O)c1cccnc1NC)C(C)C
InChIInChI=1S/C15H25N3O/c1-5-6-7-11-18(12(2)3)15(19)13-9-8-10-17-14(13)16-4/h8-10,12H,5-7,11H2,1-4H3,(H,16,17)
InChIKeyZIOFQSJFZZKMKD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds7

About 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide

2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 62174306) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID62174306
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCN(C(=O)c1cccnc1NC)C(C)C
InChIInChI=1S/C15H25N3O/c1-5-6-7-11-18(12(2)3)15(19)13-9-8-10-17-14(13)16-4/h8-10,12H,5-7,11H2,1-4H3,(H,16,17)
InChIKeyZIOFQSJFZZKMKD-UHFFFAOYSA-N
XLogP3.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
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

2-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 62247512
4-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81240413
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)pyridine-3-carboxamide
CID 103191074
N-methyl-2-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 62166706
N-pentyl-N-propan-2-yl-2-(propylamino)benzamide
CID 62174124
2-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 106050180
2-bromo-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 107982464
2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180106
4-hydrazinyl-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81255743
1-[2-(methylamino)-3-pyridinyl]butan-1-one
CID 59932550
2-amino-3-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 115540290
N-(3,3-dimethylbutan-2-yl)-N-methyl-2-(methylamino)pyridine-3-carboxamide
CID 62180109

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide (CID 62174306) is 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide is CCCCCN(C(=O)c1cccnc1NC)C(C)C.
What is the InChIKey of 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is ZIOFQSJFZZKMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-6-7-11-18(12(2)3)15(19)13-9-8-10-17-14(13)16-4/h8-10,12H,5-7,11H2,1-4H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62174306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).