5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

C23H23N3O3 — CID 109192774

IUPAC5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Nc3cccc(C(C)=O)c3)cn2)cc1
InChIInChI=1S/C23H23N3O3/c1-16(27)18-4-3-5-19(14-18)26-20-8-11-22(25-15-20)23(28)24-13-12-17-6-9-21(29-2)10-7-17/h3-11,14-15,26H,12-13H2,1-2H3,(H,24,28)
InChIKeyLNCPZARVXPPTEB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.01
Rot. Bonds8

About 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide

5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109192774) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
PubChem CID109192774
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc(Nc3cccc(C(C)=O)c3)cn2)cc1
InChIInChI=1S/C23H23N3O3/c1-16(27)18-4-3-5-19(14-18)26-20-8-11-22(25-15-20)23(28)24-13-12-17-6-9-21(29-2)10-7-17/h3-11,14-15,26H,12-13H2,1-2H3,(H,24,28)
InChIKeyLNCPZARVXPPTEB-UHFFFAOYSA-N
XLogP4.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 109122555
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-3-ylamino)benzamide
CID 117087950
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507
5-(3-acetylanilino)-N-[2-(cyclohexen-1-yl)ethyl]pyridine-2-carboxamide
CID 109183683
5-(4-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192765
N-(3-methoxyphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109192832
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
5-(3-fluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190439
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192661
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
5-(2,4-dimethoxyanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191813

Frequently Asked Questions

What is the IUPAC name of 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide (CID 109192774) is 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is COc1ccc(CCNC(=O)c2ccc(Nc3cccc(C(C)=O)c3)cn2)cc1.
What is the InChIKey of 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is LNCPZARVXPPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16(27)18-4-3-5-19(14-18)26-20-8-11-22(25-15-20)23(28)24-13-12-17-6-9-21(29-2)10-7-17/h3-11,14-15,26H,12-13H2,1-2H3,(H,24,28).
What are the key properties of 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide?
5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109192774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).