4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide

C20H24ClN3O2 — CID 97028948

IUPAC4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)ccn1
InChIInChI=1S/C20H24ClN3O2/c1-2-22-20(26)18-13-17(7-10-23-18)24-11-8-15(9-12-24)19(25)14-3-5-16(21)6-4-14/h3-7,10,13,15,19,25H,2,8-9,11-12H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyVETHMTITQIWNKJ-IBGZPJMESA-N
MW373.88 g/mol
LogP3.43
Rot. Bonds5

About 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide

4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide (PubChem CID 97028948) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
PubChem CID97028948
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)ccn1
InChIInChI=1S/C20H24ClN3O2/c1-2-22-20(26)18-13-17(7-10-23-18)24-11-8-15(9-12-24)19(25)14-3-5-16(21)6-4-14/h3-7,10,13,15,19,25H,2,8-9,11-12H2,1H3,(H,22,26)/t19-/m0/s1
InChIKeyVETHMTITQIWNKJ-IBGZPJMESA-N
XLogP3.43
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
1-[2-(ethylcarbamoyl)-4-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63032016
1-[2-(ethylcarbamoyl)-4-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 63124697
4-(4-amino-3-methylpiperidin-1-yl)-N-ethylpyridine-2-carboxamide
CID 79868126
N-ethyl-4-(3-hydroxypiperidin-1-yl)pyridine-2-carboxamide
CID 60551992
1-[2-(ethylcarbamoyl)-4-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146961
4-[4-(azetidin-3-yl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 66201616
4-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 84583882
N-ethyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853530
4-[4-(1-cyanoethyl)piperazin-1-yl]-N-ethylpyridine-2-carboxamide
CID 63343922
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 56910861

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide (CID 97028948) is 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(N2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)ccn1.
What is the InChIKey of 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide?
The InChIKey is VETHMTITQIWNKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-2-22-20(26)18-13-17(7-10-23-18)24-11-8-15(9-12-24)19(25)14-3-5-16(21)6-4-14/h3-7,10,13,15,19,25H,2,8-9,11-12H2,1H3,(H,22,26)/t19-/m0/s1.
What are the key properties of 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide?
4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(R)-(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 97028948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).