1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C19H22N4O3 — CID 109187301

IUPAC1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(Nc2ccc(C(=O)N3CCN(C(C)=O)CC3)nc2)cc1
InChIInChI=1S/C19H22N4O3/c1-14(24)22-9-11-23(12-10-22)19(25)18-8-5-16(13-20-18)21-15-3-6-17(26-2)7-4-15/h3-8,13,21H,9-12H2,1-2H3
InChIKeyHTFMZUBNPJJJJR-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.14
Rot. Bonds4

About 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109187301) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109187301
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(Nc2ccc(C(=O)N3CCN(C(C)=O)CC3)nc2)cc1
InChIInChI=1S/C19H22N4O3/c1-14(24)22-9-11-23(12-10-22)19(25)18-8-5-16(13-20-18)21-15-3-6-17(26-2)7-4-15/h3-8,13,21H,9-12H2,1-2H3
InChIKeyHTFMZUBNPJJJJR-UHFFFAOYSA-N
XLogP2.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[[5-(4-methoxyphenyl)pyrimidin-2-yl]amino]pyridine-2-carbonyl]piperazine-1-carboxylic acid
CID 67365508
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
(4-methylpiperazin-1-yl)-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]methanone
CID 109186368
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
[5-(cyclohexylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109183140
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109193851
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
(4-ethylpiperazin-1-yl)-[5-(4-fluoroanilino)-2-pyridinyl]methanone
CID 109186689
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109187301) is 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is COc1ccc(Nc2ccc(C(=O)N3CCN(C(C)=O)CC3)nc2)cc1.
What is the InChIKey of 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is HTFMZUBNPJJJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-14(24)22-9-11-23(12-10-22)19(25)18-8-5-16(13-20-18)21-15-3-6-17(26-2)7-4-15/h3-8,13,21H,9-12H2,1-2H3.
What are the key properties of 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 354.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109187301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).