N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

C12H19N3O2 — CID 81233584

IUPACN-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)NC(C)COC
InChIInChI=1S/C12H19N3O2/c1-8-5-11(13-3)10(6-14-8)12(16)15-9(2)7-17-4/h5-6,9H,7H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyVECMPVJZXGWOMR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.20
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide

N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (PubChem CID 81233584) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
PubChem CID81233584
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
SMILESCNc1cc(C)ncc1C(=O)NC(C)COC
InChIInChI=1S/C12H19N3O2/c1-8-5-11(13-3)10(6-14-8)12(16)15-9(2)7-17-4/h5-6,9H,7H2,1-4H3,(H,13,14)(H,15,16)
InChIKeyVECMPVJZXGWOMR-UHFFFAOYSA-N
XLogP1.20
TPSA63.25 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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236299
6-methyl-4-(methylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 81234798
N-(1-cyclopropylpropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81242031
N-(3-methoxypropyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235727
6-methyl-4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218085
4-hydrazinyl-N-(1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 81249331
N-[1-(4-chlorophenyl)ethyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237023
N-[(2S)-1-methoxypropan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95132933
N-[(4-methoxyphenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239365
N-[3-(diethylamino)propyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81235857
N-(2,2-dicyclopropylethyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81245313
4-(ethylamino)-6-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 81240001

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide (CID 81233584) is N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is CNc1cc(C)ncc1C(=O)NC(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
The InChIKey is VECMPVJZXGWOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8-5-11(13-3)10(6-14-8)12(16)15-9(2)7-17-4/h5-6,9H,7H2,1-4H3,(H,13,14)(H,15,16).
What are the key properties of N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide?
N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-6-methyl-4-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81233584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).