2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide

C17H27N3O2 — CID 94799467

IUPAC2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-4-22-17-15(8-5-9-18-17)16(21)19-11-14-7-6-10-20(12-14)13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyGFYLGXXLJJWQRC-CQSZACIVSA-N
MW305.42 g/mol
LogP2.33
Rot. Bonds6

About 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide

2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 94799467) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID94799467
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC[C@H]1CCCN(C(C)C)C1
InChIInChI=1S/C17H27N3O2/c1-4-22-17-15(8-5-9-18-17)16(21)19-11-14-7-6-10-20(12-14)13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,19,21)/t14-/m1/s1
InChIKeyGFYLGXXLJJWQRC-CQSZACIVSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 131943217
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 60614096
2-hydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51094816
2-ethoxy-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]pyridine-3-carboxamide
CID 137336193
2-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 51090077
2,3-dihydroxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 114344239
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 95598503
1-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 98763620

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide (CID 94799467) is 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NC[C@H]1CCCN(C(C)C)C1.
What is the InChIKey of 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is GFYLGXXLJJWQRC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-22-17-15(8-5-9-18-17)16(21)19-11-14-7-6-10-20(12-14)13(2)3/h5,8-9,13-14H,4,6-7,10-12H2,1-3H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide?
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 94799467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).