(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

C21H20ClN5O — CID 110267189

IUPAC(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C21H20ClN5O/c22-17-8-6-15(7-9-17)20(28)27-13-3-4-16(14-27)18-10-12-24-21(25-18)26-19-5-1-2-11-23-19/h1-2,5-12,16H,3-4,13-14H2,(H,23,24,25,26)
InChIKeyOWDQZUMVEYWJDN-UHFFFAOYSA-N
MW393.88 g/mol
LogP4.29
Rot. Bonds4

About (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110267189) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID110267189
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC Name(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C21H20ClN5O/c22-17-8-6-15(7-9-17)20(28)27-13-3-4-16(14-27)18-10-12-24-21(25-18)26-19-5-1-2-11-23-19/h1-2,5-12,16H,3-4,13-14H2,(H,23,24,25,26)
InChIKeyOWDQZUMVEYWJDN-UHFFFAOYSA-N
XLogP4.29
TPSA71.01 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 ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252094
(4-chlorophenyl)-[3-[2-[[6-(methylamino)pyrimidin-4-yl]amino]pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267193
phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252097
[(3S)-3-[2-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95837440
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
2-phenoxy-1-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252112
4-[(3S)-3-[2-(2-methylanilino)pyrimidin-4-yl]piperidine-1-carbonyl]benzonitrile
CID 95094500
3-phenyl-1-[(3R)-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 124947397
(6-chloro-3-pyridinyl)-[(3R)-3-[2-(3-methylanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95094419
(3-chloro-4-fluorophenyl)-[(3R)-3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 95093509
(2-fluorophenyl)-[3-[2-(4-methylanilino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53139994
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 110267189) is (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCCC(c2ccnc(Nc3ccccn3)n2)C1.
What is the InChIKey of (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is OWDQZUMVEYWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c22-17-8-6-15(7-9-17)20(28)27-13-3-4-16(14-27)18-10-12-24-21(25-18)26-19-5-1-2-11-23-19/h1-2,5-12,16H,3-4,13-14H2,(H,23,24,25,26).
What are the key properties of (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
(4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 393.88 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110267189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).