pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone

C21H19N5O2 — CID 97193617

IUPACpyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccnc1)[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1
InChIInChI=1S/C21H19N5O2/c27-19(16-3-1-7-23-11-16)17-4-2-10-26(14-17)21(28)18-12-24-20(25-13-18)15-5-8-22-9-6-15/h1,3,5-9,11-13,17H,2,4,10,14H2/t17-/m1/s1
InChIKeyDHFMIAWUQCDJID-QGZVFWFLSA-N
MW373.42 g/mol
LogP2.67
Rot. Bonds4

About pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone

pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone (PubChem CID 97193617) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
PubChem CID97193617
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Namepyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccnc1)[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1
InChIInChI=1S/C21H19N5O2/c27-19(16-3-1-7-23-11-16)17-4-2-10-26(14-17)21(28)18-12-24-20(25-13-18)15-5-8-22-9-6-15/h1,3,5-9,11-13,17H,2,4,10,14H2/t17-/m1/s1
InChIKeyDHFMIAWUQCDJID-QGZVFWFLSA-N
XLogP2.67
TPSA88.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
tert-butyl (3R)-3-(pyridine-3-carbonyl)piperidine-1-carboxylate
CID 16671359
[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 70779809
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72926522
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
[(3R)-1-(8-fluoroquinoline-2-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 97127277
[(3R)-3-(3-fluoroanilino)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 95717763
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124751798
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone (CID 97193617) is pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone is O=C(c1cccnc1)[C@@H]1CCCN(C(=O)c2cnc(-c3ccncc3)nc2)C1.
What is the InChIKey of pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone?
The InChIKey is DHFMIAWUQCDJID-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-19(16-3-1-7-23-11-16)17-4-2-10-26(14-17)21(28)18-12-24-20(25-13-18)15-5-8-22-9-6-15/h1,3,5-9,11-13,17H,2,4,10,14H2/t17-/m1/s1.
What are the key properties of pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone?
pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone has a molecular weight of 373.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[(3R)-1-(2-pyridin-4-ylpyrimidine-5-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 97193617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).