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

C13H20N4O2 — CID 126433362

IUPAC(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(C)nc(CNC(=O)N2CCC[C@H](O)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-10(2)16-12(15-9)7-14-13(19)17-5-3-4-11(18)8-17/h6,11,18H,3-5,7-8H2,1-2H3,(H,14,19)/t11-/m0/s1
InChIKeyPNAYGQKKTBMKGL-NSHDSACASA-N
MW264.33 g/mol
LogP0.76
Rot. Bonds2

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

(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 126433362) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID126433362
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1cc(C)nc(CNC(=O)N2CCC[C@H](O)C2)n1
InChIInChI=1S/C13H20N4O2/c1-9-6-10(2)16-12(15-9)7-14-13(19)17-5-3-4-11(18)8-17/h6,11,18H,3-5,7-8H2,1-2H3,(H,14,19)/t11-/m0/s1
InChIKeyPNAYGQKKTBMKGL-NSHDSACASA-N
XLogP0.76
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-cyano-N-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidine-1-carboxamide
CID 126445546
(3S)-3-hydroxy-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-1-carboxamide
CID 137065733
N-[(4-fluoro-3-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 87002970
3-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 111104361
4-[[[(3S)-3-hydroxypiperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020589
N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110922318
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
3-hydroxy-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 130943838
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
1-[3-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-1-yl]ethanone
CID 73440134
2-(3,5-dimethylpyrazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110906659
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide (CID 126433362) is (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide is Cc1cc(C)nc(CNC(=O)N2CCC[C@H](O)C2)n1.
What is the InChIKey of (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is PNAYGQKKTBMKGL-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-6-10(2)16-12(15-9)7-14-13(19)17-5-3-4-11(18)8-17/h6,11,18H,3-5,7-8H2,1-2H3,(H,14,19)/t11-/m0/s1.
What are the key properties of (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide?
(3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 126433362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).