2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide

C12H17N3O — CID 174891136

IUPAC2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide
SMILESCN(CC1(C)CC1)c1ncccc1C(N)=O
InChIInChI=1S/C12H17N3O/c1-12(5-6-12)8-15(2)11-9(10(13)16)4-3-7-14-11/h3-4,7H,5-6,8H2,1-2H3,(H2,13,16)
InChIKeyHLYRHKXDSAOHOP-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.42
Rot. Bonds4

About 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide

2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide (PubChem CID 174891136) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide
PubChem CID174891136
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide
SMILESCN(CC1(C)CC1)c1ncccc1C(N)=O
InChIInChI=1S/C12H17N3O/c1-12(5-6-12)8-15(2)11-9(10(13)16)4-3-7-14-11/h3-4,7H,5-6,8H2,1-2H3,(H2,13,16)
InChIKeyHLYRHKXDSAOHOP-UHFFFAOYSA-N
XLogP1.42
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-3-carbothioamide
CID 105418161
2-[methyl-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]amino]pyridine-3-carboxamide
CID 131929979
4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
CID 60977524
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458
2-[1-hydroxypropan-2-yl(methyl)amino]pyridine-3-carboxamide
CID 115868770
tert-butyl N-[2-[(3-carbamoyl-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 141414305
2-[(4-methyloxan-4-yl)methylamino]pyridine-3-carboxamide
CID 113253039
2-[methyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43272299
2-[[(E)-but-1-enyl]-cyclopropylamino]pyridine-3-carboxamide
CID 142959567
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 29033562
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
2-pyrimidin-2-ylpyridine-3-carboxamide
CID 154307272

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide (CID 174891136) is 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide is CN(CC1(C)CC1)c1ncccc1C(N)=O.
What is the InChIKey of 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide?
The InChIKey is HLYRHKXDSAOHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-12(5-6-12)8-15(2)11-9(10(13)16)4-3-7-14-11/h3-4,7H,5-6,8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide?
2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 174891136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).