N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide

C21H21N3O2 — CID 117092507

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(Nc3ccncc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-20-7-5-16(6-8-20)9-14-23-21(25)17-3-2-4-19(15-17)24-18-10-12-22-13-11-18/h2-8,10-13,15H,9,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCGUJQAQDTWYZJW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.81
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide

N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide (PubChem CID 117092507) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
PubChem CID117092507
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(Nc3ccncc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-20-7-5-16(6-8-20)9-14-23-21(25)17-3-2-4-19(15-17)24-18-10-12-22-13-11-18/h2-8,10-13,15H,9,14H2,1H3,(H,22,24)(H,23,25)
InChIKeyCGUJQAQDTWYZJW-UHFFFAOYSA-N
XLogP3.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192774
3-formyl-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141386769
6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122555
1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
1-N-[2-(4-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054965
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide (CID 117092507) is N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide is COc1ccc(CCNC(=O)c2cccc(Nc3ccncc3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide?
The InChIKey is CGUJQAQDTWYZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-20-7-5-16(6-8-20)9-14-23-21(25)17-3-2-4-19(15-17)24-18-10-12-22-13-11-18/h2-8,10-13,15H,9,14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide?
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide has a molecular weight of 347.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide is sourced from PubChem (CID 117092507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).