(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one

C14H14BrN5O — CID 124886074

IUPAC(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
SMILESO=C1[C@@H](Nc2ncncc2Br)CCCN1c1cccnc1
InChIInChI=1S/C14H14BrN5O/c15-11-8-17-9-18-13(11)19-12-4-2-6-20(14(12)21)10-3-1-5-16-7-10/h1,3,5,7-9,12H,2,4,6H2,(H,17,18,19)/t12-/m0/s1
InChIKeyXINVMZYDDGSVBD-LBPRGKRZSA-N
MW348.20 g/mol
LogP2.24
Rot. Bonds3

About (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one

(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one (PubChem CID 124886074) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
PubChem CID124886074
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
SMILESO=C1[C@@H](Nc2ncncc2Br)CCCN1c1cccnc1
InChIInChI=1S/C14H14BrN5O/c15-11-8-17-9-18-13(11)19-12-4-2-6-20(14(12)21)10-3-1-5-16-7-10/h1,3,5,7-9,12H,2,4,6H2,(H,17,18,19)/t12-/m0/s1
InChIKeyXINVMZYDDGSVBD-LBPRGKRZSA-N
XLogP2.24
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886125
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CID 129447691
5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile
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1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
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(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
CID 97351700
3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
CID 107590126
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593
6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one
CID 20590175
1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The IUPAC name of (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one (CID 124886074) is (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one is O=C1[C@@H](Nc2ncncc2Br)CCCN1c1cccnc1.
What is the InChIKey of (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The InChIKey is XINVMZYDDGSVBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H14BrN5O/c15-11-8-17-9-18-13(11)19-12-4-2-6-20(14(12)21)10-3-1-5-16-7-10/h1,3,5,7-9,12H,2,4,6H2,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one has a molecular weight of 348.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one is sourced from PubChem (CID 124886074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).