4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide

C13H21N3O — CID 81240604

IUPAC4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CN(C(=O)c1cnccc1N)C(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)8-16(10(3)4)13(17)11-7-15-6-5-12(11)14/h5-7,9-10H,8H2,1-4H3,(H2,14,15)
InChIKeyQRERADMMCLJIKG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds4

About 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide

4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 81240604) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID81240604
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)CN(C(=O)c1cnccc1N)C(C)C
InChIInChI=1S/C13H21N3O/c1-9(2)8-16(10(3)4)13(17)11-7-15-6-5-12(11)14/h5-7,9-10H,8H2,1-4H3,(H2,14,15)
InChIKeyQRERADMMCLJIKG-UHFFFAOYSA-N
XLogP2.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide
CID 81226871
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
4-amino-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 123975381
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
4-amino-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 81242644
3-amino-2,5-difluoro-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 107120689
4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225564
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylbenzamide
CID 62242767
5-amino-N-(2-methylpropyl)-2-nitro-N-propan-2-ylbenzamide
CID 62185663
4-amino-2-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzamide;hydrochloride
CID 119730930
4-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 81241040
4-amino-N-cyclopentyl-N-ethylpyridine-3-carboxamide
CID 81242271

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide (CID 81240604) is 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide is CC(C)CN(C(=O)c1cnccc1N)C(C)C.
What is the InChIKey of 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QRERADMMCLJIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9(2)8-16(10(3)4)13(17)11-7-15-6-5-12(11)14/h5-7,9-10H,8H2,1-4H3,(H2,14,15).
What are the key properties of 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide?
4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methylpropyl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 81240604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).