(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide

C10H12Cl2N4O — CID 114074295

IUPAC(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C10H12Cl2N4O/c11-8-7(9(12)15-5-14-8)16-10(17)6-2-1-3-13-4-6/h5-6,13H,1-4H2,(H,16,17)/t6-/m1/s1
InChIKeyFWTPSOQCMXSVKP-ZCFIWIBFSA-N
MW275.14 g/mol
LogP1.72
Rot. Bonds2

About (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide

(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide (PubChem CID 114074295) has the molecular formula C10H12Cl2N4O and a molecular weight of 275.14 g/mol. Its IUPAC name is (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
PubChem CID114074295
Molecular FormulaC10H12Cl2N4O
Molecular Weight275.14 g/mol
Exact Mass274.04
IUPAC Name(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
SMILESO=C(Nc1c(Cl)ncnc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C10H12Cl2N4O/c11-8-7(9(12)15-5-14-8)16-10(17)6-2-1-3-13-4-6/h5-6,13H,1-4H2,(H,16,17)/t6-/m1/s1
InChIKeyFWTPSOQCMXSVKP-ZCFIWIBFSA-N
XLogP1.72
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 65490081
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
(3R)-N-(1H-imidazol-2-yl)piperidine-3-carboxamide
CID 81139688
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
CID 28992192
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
CID 28562759
5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
CID 142738187
(3R)-N-(5-bromopyrazin-2-yl)piperidine-3-carboxamide
CID 81134417
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide (CID 114074295) is (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide is O=C(Nc1c(Cl)ncnc1Cl)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide?
The InChIKey is FWTPSOQCMXSVKP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12Cl2N4O/c11-8-7(9(12)15-5-14-8)16-10(17)6-2-1-3-13-4-6/h5-6,13H,1-4H2,(H,16,17)/t6-/m1/s1.
What are the key properties of (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide?
(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide has a molecular weight of 275.14 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 114074295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).