2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide

C16H25N3O2 — CID 51099499

IUPAC2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCC1CCCN(CC)C1
InChIInChI=1S/C16H25N3O2/c1-3-19-10-6-7-13(12-19)11-18-15(20)14-8-5-9-17-16(14)21-4-2/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyGNMSWBUEIUYURC-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.94
Rot. Bonds6

About 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide

2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 51099499) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID51099499
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCC1CCCN(CC)C1
InChIInChI=1S/C16H25N3O2/c1-3-19-10-6-7-13(12-19)11-18-15(20)14-8-5-9-17-16(14)21-4-2/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,18,20)
InChIKeyGNMSWBUEIUYURC-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 131943217
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
5-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 56702364
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
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
2-(ethylamino)-N-[(1-ethylpyrrolidin-3-yl)methyl]benzamide
CID 62180742
N-[[(3R)-1-ethylpiperidin-3-yl]methyl]-3,4-dimethoxybenzamide
CID 95214625
2-methoxy-N-[[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 95222271

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide (CID 51099499) is 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCC1CCCN(CC)C1.
What is the InChIKey of 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is GNMSWBUEIUYURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-19-10-6-7-13(12-19)11-18-15(20)14-8-5-9-17-16(14)21-4-2/h5,8-9,13H,3-4,6-7,10-12H2,1-2H3,(H,18,20).
What are the key properties of 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide?
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 51099499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).