2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide

C13H20N4O — CID 107425347

IUPAC2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(NC2(C)CCNC2)c(C(N)=O)c(C)n1
InChIInChI=1S/C13H20N4O/c1-8-6-10(11(12(14)18)9(2)16-8)17-13(3)4-5-15-7-13/h6,15H,4-5,7H2,1-3H3,(H2,14,18)(H,16,17)
InChIKeyXLSWRHNDZDJLNV-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.96
Rot. Bonds3

About 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide

2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide (PubChem CID 107425347) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
PubChem CID107425347
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
SMILESCc1cc(NC2(C)CCNC2)c(C(N)=O)c(C)n1
InChIInChI=1S/C13H20N4O/c1-8-6-10(11(12(14)18)9(2)16-8)17-13(3)4-5-15-7-13/h6,15H,4-5,7H2,1-3H3,(H2,14,18)(H,16,17)
InChIKeyXLSWRHNDZDJLNV-UHFFFAOYSA-N
XLogP0.96
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-aminocyclobutyl)methylamino]-2,6-dimethylpyridine-3-carboxamide
CID 103353986
2,6-dimethyl-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488661
4-[(3-methylpyrrolidin-3-yl)amino]-3-nitrobenzamide
CID 107425889
2,6-dimethyl-4-(2-piperidin-4-yloxyethylamino)pyridine-3-carboxamide
CID 81036507
2,6-dimethyl-4-[2-(methylamino)ethylamino]pyridine-3-carboxamide
CID 81051566
4-methoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425506
2,6-dimethyl-4-piperazin-1-ylpyridine-3-carboxamide
CID 81050845
cis-(1R,3S)-3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 106322444
4-methyl-N-(3-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 107425466
4-ethoxy-6-methyl-N-(3-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 107425678
4-[(2-amino-2-ethylbutyl)amino]-2,6-dimethylpyridine-3-carboxamide
CID 115306287
3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 81050962

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide (CID 107425347) is 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide is Cc1cc(NC2(C)CCNC2)c(C(N)=O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is XLSWRHNDZDJLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-8-6-10(11(12(14)18)9(2)16-8)17-13(3)4-5-15-7-13/h6,15H,4-5,7H2,1-3H3,(H2,14,18)(H,16,17).
What are the key properties of 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide?
2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(3-methylpyrrolidin-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 107425347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).