N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide

C12H19N3O2 — CID 81242683

IUPACN-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)N(C)C(C)COC
InChIInChI=1S/C12H19N3O2/c1-9(8-17-4)15(3)12(16)10-7-14-6-5-11(10)13-2/h5-7,9H,8H2,1-4H3,(H,13,14)
InChIKeyQYBPHVOUXAAOCI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.23
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide

N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81242683) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81242683
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1ccncc1C(=O)N(C)C(C)COC
InChIInChI=1S/C12H19N3O2/c1-9(8-17-4)15(3)12(16)10-7-14-6-5-11(10)13-2/h5-7,9H,8H2,1-4H3,(H,13,14)
InChIKeyQYBPHVOUXAAOCI-UHFFFAOYSA-N
XLogP1.23
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-methoxypropan-2-yl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 114244358
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332
N-(2-hydroxypropyl)-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81240291
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-(methylamino)pyridine-4-carboxamide
CID 105069561
N-methyl-4-(methylamino)-N-(2-methylbutyl)pyridine-3-carboxamide
CID 81236054
3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 66484600
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
N-methyl-N-(1-methylsulfanylpropan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 112664221
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 62180314
4-(methylamino)-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 81240413
N-(1-methoxypropan-2-yl)-N-methyl-5-(methylamino)pyrazine-2-carboxamide
CID 107374798
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81242683) is N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1ccncc1C(=O)N(C)C(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is QYBPHVOUXAAOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(8-17-4)15(3)12(16)10-7-14-6-5-11(10)13-2/h5-7,9H,8H2,1-4H3,(H,13,14).
What are the key properties of N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide?
N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81242683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).