5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide

C21H20ClN3O2 — CID 109192510

IUPAC5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O2/c1-27-20-5-3-2-4-15(20)12-13-23-21(26)19-11-10-18(14-24-19)25-17-8-6-16(22)7-9-17/h2-11,14,25H,12-13H2,1H3,(H,23,26)
InChIKeyXPJWFCUGWQLSHL-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.46
Rot. Bonds7

About 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide

5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109192510) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109192510
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O2/c1-27-20-5-3-2-4-15(20)12-13-23-21(26)19-11-10-18(14-24-19)25-17-8-6-16(22)7-9-17/h2-11,14,25H,12-13H2,1H3,(H,23,26)
InChIKeyXPJWFCUGWQLSHL-UHFFFAOYSA-N
XLogP4.46
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179678
5-(2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192496
methyl 4-[[6-[2-(2-fluorophenyl)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109192216
5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190170
5-anilino-N-[2-(2-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284601
5-(3-chloro-4-fluoroanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190217
N-[2-(2-methoxyphenyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 26181262
5-(4-acetylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190232
4-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214302
N-[(4-fluorophenyl)methyl]-5-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109189600
5-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109183740
6-(4-methoxyanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122307

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109192510) is 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccccc1CCNC(=O)c1ccc(Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is XPJWFCUGWQLSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-27-20-5-3-2-4-15(20)12-13-23-21(26)19-11-10-18(14-24-19)25-17-8-6-16(22)7-9-17/h2-11,14,25H,12-13H2,1H3,(H,23,26).
What are the key properties of 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide?
5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109192510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).