6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride

C20H18Cl2N2O2 — CID 140535401

IUPAC6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C20H17ClN2O2.ClH/c21-16-9-10-19(25-13-14-5-2-1-3-6-14)15(11-16)12-17-7-4-8-18(23-17)20(22)24;/h1-11H,12-13H2,(H2,22,24);1H
InChIKeyMVRZJOZNIZMCAJ-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.43
Rot. Bonds6

About 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride

6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 140535401) has the molecular formula C20H18Cl2N2O2 and a molecular weight of 389.28 g/mol. Its IUPAC name is 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
PubChem CID140535401
Molecular FormulaC20H18Cl2N2O2
Molecular Weight389.28 g/mol
Exact Mass388.07
IUPAC Name6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1
InChIInChI=1S/C20H17ClN2O2.ClH/c21-16-9-10-19(25-13-14-5-2-1-3-6-14)15(11-16)12-17-7-4-8-18(23-17)20(22)24;/h1-11H,12-13H2,(H2,22,24);1H
InChIKeyMVRZJOZNIZMCAJ-UHFFFAOYSA-N
XLogP4.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
CID 143249319
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylic acid
CID 11495634
ethyl 6-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 59384265
tert-butyl N-[6-[(5-chloro-2-phenylmethoxyphenyl)methyl]-2-pyridinyl]carbamate
CID 24753872
sodium 6-[[5-chloro-2-[(2,4,6-trifluorophenyl)methoxy]phenyl]methyl]pyridine-2-carboxylate
CID 23690263
1-(5-chloro-2-phenylmethoxyphenyl)propan-2-one;hydrochloride
CID 172689166
ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 59786538
5-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-3-carboxylic acid
CID 11646506
sodium 6-[2-(5-chloro-2-phenylmethoxyphenyl)cyclohexen-1-yl]pyridine-2-carboxylate
CID 59808916
ethyl 6-[[5-chloro-2-(cyclohexylmethoxy)phenyl]methyl]pyridine-2-carboxylate
CID 59384274
N-[2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 59786385
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride (CID 140535401) is 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride is Cl.NC(=O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1.
What is the InChIKey of 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is MVRZJOZNIZMCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2.ClH/c21-16-9-10-19(25-13-14-5-2-1-3-6-14)15(11-16)12-17-7-4-8-18(23-17)20(22)24;/h1-11H,12-13H2,(H2,22,24);1H.
What are the key properties of 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride?
6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 389.28 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 140535401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).