N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide

C12H19N3O2 — CID 106180889

IUPACN-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCOCC(CN)NC(=O)c1ccc(C)nc1C
InChIInChI=1S/C12H19N3O2/c1-8-4-5-11(9(2)14-8)12(16)15-10(6-13)7-17-3/h4-5,10H,6-7,13H2,1-3H3,(H,15,16)
InChIKeyCQOGXRYPIVQMFW-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.40
Rot. Bonds5

About N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide

N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 106180889) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID106180889
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCOCC(CN)NC(=O)c1ccc(C)nc1C
InChIInChI=1S/C12H19N3O2/c1-8-4-5-11(9(2)14-8)12(16)15-10(6-13)7-17-3/h4-5,10H,6-7,13H2,1-3H3,(H,15,16)
InChIKeyCQOGXRYPIVQMFW-UHFFFAOYSA-N
XLogP0.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-[(2R)-1-aminopropan-2-yl]-2,6-dimethylpyridine-3-carboxamide
CID 104873122
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106180025
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-(1-amino-4-methylpentan-3-yl)-2,6-dimethylpyridine-3-carboxamide
CID 114178127
N-(1-amino-3-methoxypropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 106180071
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 113376501
(2S)-2-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 62828512
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
N-(1-amino-3-methoxypropan-2-yl)-4-(difluoromethoxy)benzamide
CID 106180246
N-(4-bromo-1-methoxybutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106156171
N-(1-cyanoethyl)-2,6-dimethylpyridine-3-carboxamide
CID 55209186

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide (CID 106180889) is N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide is COCC(CN)NC(=O)c1ccc(C)nc1C.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is CQOGXRYPIVQMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-4-5-11(9(2)14-8)12(16)15-10(6-13)7-17-3/h4-5,10H,6-7,13H2,1-3H3,(H,15,16).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 106180889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).