2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

C20H29N5O2 — CID 131943217

IUPAC2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCC1CCN(CCc2nccn2C)CC1
InChIInChI=1S/C20H29N5O2/c1-3-27-20-17(5-4-9-22-20)19(26)23-15-16-6-11-25(12-7-16)13-8-18-21-10-14-24(18)2/h4-5,9-10,14,16H,3,6-8,11-13,15H2,1-2H3,(H,23,26)
InChIKeyDVYLDHPVVYMYLR-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.90
Rot. Bonds8

About 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 131943217) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID131943217
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCC1CCN(CCc2nccn2C)CC1
InChIInChI=1S/C20H29N5O2/c1-3-27-20-17(5-4-9-22-20)19(26)23-15-16-6-11-25(12-7-16)13-8-18-21-10-14-24(18)2/h4-5,9-10,14,16H,3,6-8,11-13,15H2,1-2H3,(H,23,26)
InChIKeyDVYLDHPVVYMYLR-UHFFFAOYSA-N
XLogP1.90
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide
CID 131911270
2-ethoxy-N-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 94799467
formic acid;3-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 154912028
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
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-bromo-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 113255665
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide
CID 99873612
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 131943217) is 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCC1CCN(CCc2nccn2C)CC1.
What is the InChIKey of 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is DVYLDHPVVYMYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-27-20-17(5-4-9-22-20)19(26)23-15-16-6-11-25(12-7-16)13-8-18-21-10-14-24(18)2/h4-5,9-10,14,16H,3,6-8,11-13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide?
2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 131943217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).