[4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C21H20ClN5O — CID 109216233

IUPAC[4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Nc2ccccc2Cl)ccn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H20ClN5O/c22-17-5-1-2-6-18(17)25-16-8-10-23-19(15-16)21(28)27-13-11-26(12-14-27)20-7-3-4-9-24-20/h1-10,15H,11-14H2,(H,23,25)
InChIKeySIIPUEDZMJKPED-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.84
Rot. Bonds4

About [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109216233) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109216233
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name[4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc(Nc2ccccc2Cl)ccn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H20ClN5O/c22-17-5-1-2-6-18(17)25-16-8-10-23-19(15-16)21(28)27-13-11-26(12-14-27)20-7-3-4-9-24-20/h1-10,15H,11-14H2,(H,23,25)
InChIKeySIIPUEDZMJKPED-UHFFFAOYSA-N
XLogP3.84
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
3-[[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109216243
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
[4-(2-methoxyethylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109205899
[2-(3-chloroanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310598
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
(4-anilino-2-pyridinyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109216106
2-[[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109215207
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844

Frequently Asked Questions

What is the IUPAC name of [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109216233) is [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc(Nc2ccccc2Cl)ccn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is SIIPUEDZMJKPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c22-17-5-1-2-6-18(17)25-16-8-10-23-19(15-16)21(28)27-13-11-26(12-14-27)20-7-3-4-9-24-20/h1-10,15H,11-14H2,(H,23,25).
What are the key properties of [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 393.88 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chloroanilino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109216233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).