[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone

C15H17N5O — CID 95824096

IUPAC[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1nccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C15H17N5O/c16-15-18-7-5-13(19-15)12-4-2-8-20(10-12)14(21)11-3-1-6-17-9-11/h1,3,5-7,9,12H,2,4,8,10H2,(H2,16,18,19)/t12-/m0/s1
InChIKeyBIHPOKZSFPQJPU-LBPRGKRZSA-N
MW283.33 g/mol
LogP1.47
Rot. Bonds2

About [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone

[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95824096) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95824096
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESNc1nccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C15H17N5O/c16-15-18-7-5-13(19-15)12-4-2-8-20(10-12)14(21)11-3-1-6-17-9-11/h1,3,5-7,9,12H,2,4,8,10H2,(H2,16,18,19)/t12-/m0/s1
InChIKeyBIHPOKZSFPQJPU-LBPRGKRZSA-N
XLogP1.47
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
[(3S)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95806520
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
pyridin-3-yl-[3-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110268573
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 95824096) is [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone is Nc1nccc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1.
What is the InChIKey of [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is BIHPOKZSFPQJPU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H17N5O/c16-15-18-7-5-13(19-15)12-4-2-8-20(10-12)14(21)11-3-1-6-17-9-11/h1,3,5-7,9,12H,2,4,8,10H2,(H2,16,18,19)/t12-/m0/s1.
What are the key properties of [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone?
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 283.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95824096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).