(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide

C14H19N5O — CID 126445546

IUPAC(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)nc(CNC(=O)N2CCC[C@H](C#N)C2)n1
InChIInChI=1S/C14H19N5O/c1-10-6-11(2)18-13(17-10)8-16-14(20)19-5-3-4-12(7-15)9-19/h6,12H,3-5,8-9H2,1-2H3,(H,16,20)/t12-/m1/s1
InChIKeyDQRAVYYYVMPGPJ-GFCCVEGCSA-N
MW273.34 g/mol
LogP1.54
Rot. Bonds2

About (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide

(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 126445546) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide
PubChem CID126445546
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide
SMILESCc1cc(C)nc(CNC(=O)N2CCC[C@H](C#N)C2)n1
InChIInChI=1S/C14H19N5O/c1-10-6-11(2)18-13(17-10)8-16-14(20)19-5-3-4-12(7-15)9-19/h6,12H,3-5,8-9H2,1-2H3,(H,16,20)/t12-/m1/s1
InChIKeyDQRAVYYYVMPGPJ-GFCCVEGCSA-N
XLogP1.54
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-cyano-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidine-1-carboxamide
CID 126442687
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 126433362
(3R)-3-cyano-N-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 126452602
(3S)-3-cyano-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 126434903
(3R)-3-cyano-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]piperidine-1-carboxamide
CID 126434904
1-acetylpiperidine-3-carbonitrile;ethane
CID 145255147
3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide
CID 121495545
1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
CID 73440134
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095
(3R)-3-cyano-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]piperidine-1-carboxamide
CID 126454471
1-(3-bromo-4-methylbenzoyl)piperidine-3-carbonitrile
CID 81471933
1-(2-chloro-4-methylbenzoyl)piperidine-3-carbonitrile
CID 106861257

Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide (CID 126445546) is (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide is Cc1cc(C)nc(CNC(=O)N2CCC[C@H](C#N)C2)n1.
What is the InChIKey of (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is DQRAVYYYVMPGPJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-6-11(2)18-13(17-10)8-16-14(20)19-5-3-4-12(7-15)9-19/h6,12H,3-5,8-9H2,1-2H3,(H,16,20)/t12-/m1/s1.
What are the key properties of (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide?
(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126445546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).