N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide

C12H19N3O2 — CID 62174214

IUPACN-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCOCC(C)NC(=O)c1cccnc1NC
InChIInChI=1S/C12H19N3O2/c1-4-17-8-9(2)15-12(16)10-6-5-7-14-11(10)13-3/h5-7,9H,4,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVJPVLCBHRCCJEI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.28
Rot. Bonds6

About N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide

N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide (PubChem CID 62174214) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
PubChem CID62174214
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
SMILESCCOCC(C)NC(=O)c1cccnc1NC
InChIInChI=1S/C12H19N3O2/c1-4-17-8-9(2)15-12(16)10-6-5-7-14-11(10)13-3/h5-7,9H,4,8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyVJPVLCBHRCCJEI-UHFFFAOYSA-N
XLogP1.28
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
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CID 62180683
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
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N-(1-ethoxypropan-2-yl)-2-iodobenzamide
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N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
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N-(1-ethoxypropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547790
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
N-(1-cyclohexylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62405131
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
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(2R)-2-[[2-(methylamino)pyridine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 126446245

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide (CID 62174214) is N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide is CCOCC(C)NC(=O)c1cccnc1NC.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide?
The InChIKey is VJPVLCBHRCCJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-17-8-9(2)15-12(16)10-6-5-7-14-11(10)13-3/h5-7,9H,4,8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide?
N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62174214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).