N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide

C21H26ClN3O2 — CID 11963995

IUPACN-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide
SMILESCCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-3-27-20-11-16(4-5-19(20)22)14-25-8-6-18(7-9-25)24-21(26)17-10-15(2)12-23-13-17/h4-5,10-13,18H,3,6-9,14H2,1-2H3,(H,24,26)
InChIKeyDARWEDNPGILOPQ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.84
Rot. Bonds6

About N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide

N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide (PubChem CID 11963995) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide
PubChem CID11963995
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide
SMILESCCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-3-27-20-11-16(4-5-19(20)22)14-25-8-6-18(7-9-25)24-21(26)17-10-15(2)12-23-13-17/h4-5,10-13,18H,3,6-9,14H2,1-2H3,(H,24,26)
InChIKeyDARWEDNPGILOPQ-UHFFFAOYSA-N
XLogP3.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-[2-(4-chlorophenyl)ethoxy]-5-methoxy-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052358
4-chloro-3-[2-(4-chlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052361
3-[2-(4-chlorophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052371
4-chloro-3-[2-(5-chloropyridin-2-yl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052426
3-[2-(4-aminophenyl)ethoxy]-4-chloro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052453
4-chloro-3-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052482
4-chloro-3-[2-(4-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052493
4-chloro-3-[2-(4-fluorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396287
4-chloro-3-[2-(4-methylphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396288
Pyridine amide, 34
CID 44237008
4-chloro-3-[2-(3-chlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396282
4-chloro-3-[2-(3-methoxyphenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396283

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide (CID 11963995) is N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide is CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1Cl.
What is the InChIKey of N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is DARWEDNPGILOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-3-27-20-11-16(4-5-19(20)22)14-25-8-6-18(7-9-25)24-21(26)17-10-15(2)12-23-13-17/h4-5,10-13,18H,3,6-9,14H2,1-2H3,(H,24,26).
What are the key properties of N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide?
N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 11963995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).