N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide

C22H21ClN2O3 — CID 46820321

IUPACN-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
SMILESCOc1ccc(CC(NC(=O)c2cc(Cl)ccn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21ClN2O3/c1-27-18-7-3-15(4-8-18)13-20(16-5-9-19(28-2)10-6-16)25-22(26)21-14-17(23)11-12-24-21/h3-12,14,20H,13H2,1-2H3,(H,25,26)
InChIKeyWZDNVJYPJZDYJF-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.47
Rot. Bonds7

About N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide

N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide (PubChem CID 46820321) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
PubChem CID46820321
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC NameN-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide
SMILESCOc1ccc(CC(NC(=O)c2cc(Cl)ccn2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C22H21ClN2O3/c1-27-18-7-3-15(4-8-18)13-20(16-5-9-19(28-2)10-6-16)25-22(26)21-14-17(23)11-12-24-21/h3-12,14,20H,13H2,1-2H3,(H,25,26)
InChIKeyWZDNVJYPJZDYJF-UHFFFAOYSA-N
XLogP4.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 60739451
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
N-[1,2-bis(4-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 46820307
4-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 110004659
N-[1,2-bis(4-methoxyphenyl)ethyl]-2-chloro-4,5-difluorobenzamide
CID 46820313
N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
CID 55716947
N-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 40972028
N-[1,2-bis(4-methoxyphenyl)ethyl]-3-iodobenzamide
CID 56728750
2-chloro-N-[1-(4-methoxyphenyl)propyl]pyridine-4-carboxamide
CID 51258291
1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione
CID 59763976
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478

Frequently Asked Questions

What is the IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide?
The IUPAC name of N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide (CID 46820321) is N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide is COc1ccc(CC(NC(=O)c2cc(Cl)ccn2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide?
The InChIKey is WZDNVJYPJZDYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-18-7-3-15(4-8-18)13-20(16-5-9-19(28-2)10-6-16)25-22(26)21-14-17(23)11-12-24-21/h3-12,14,20H,13H2,1-2H3,(H,25,26).
What are the key properties of N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide?
N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide has a molecular weight of 396.87 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-bis(4-methoxyphenyl)ethyl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 46820321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).