(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide

C19H25N5O2 — CID 136803213

IUPAC(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide
SMILESCc1cc(NCCN2CCC[C@H](C(N)=O)C2)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H25N5O2/c1-13-11-17(23-19(22-13)15-6-2-3-7-16(15)25)21-8-10-24-9-4-5-14(12-24)18(20)26/h2-3,6-7,11,14,25H,4-5,8-10,12H2,1H3,(H2,20,26)(H,21,22,23)/t14-/m0/s1
InChIKeyOAGNUMYGJUTWFI-AWEZNQCLSA-N
MW355.44 g/mol
LogP1.77
Rot. Bonds6

About (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide

(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide (PubChem CID 136803213) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide
PubChem CID136803213
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide
SMILESCc1cc(NCCN2CCC[C@H](C(N)=O)C2)nc(-c2ccccc2O)n1
InChIInChI=1S/C19H25N5O2/c1-13-11-17(23-19(22-13)15-6-2-3-7-16(15)25)21-8-10-24-9-4-5-14(12-24)18(20)26/h2-3,6-7,11,14,25H,4-5,8-10,12H2,1H3,(H2,20,26)(H,21,22,23)/t14-/m0/s1
InChIKeyOAGNUMYGJUTWFI-AWEZNQCLSA-N
XLogP1.77
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide (CID 136803213) is (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide is Cc1cc(NCCN2CCC[C@H](C(N)=O)C2)nc(-c2ccccc2O)n1.
What is the InChIKey of (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide?
The InChIKey is OAGNUMYGJUTWFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13-11-17(23-19(22-13)15-6-2-3-7-16(15)25)21-8-10-24-9-4-5-14(12-24)18(20)26/h2-3,6-7,11,14,25H,4-5,8-10,12H2,1H3,(H2,20,26)(H,21,22,23)/t14-/m0/s1.
What are the key properties of (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide?
(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 136803213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).