(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C23H25N5O2 — CID 25275507

IUPAC(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1
InChIInChI=1S/C23H25N5O2/c1-17-25-12-18(13-26-17)15-28-11-5-6-19(16-28)23(29)27-21-8-2-3-9-22(21)30-20-7-4-10-24-14-20/h2-4,7-10,12-14,19H,5-6,11,15-16H2,1H3,(H,27,29)/t19-/m1/s1
InChIKeyOKPPWGGAVDFNJZ-LJQANCHMSA-N
MW403.49 g/mol
LogP3.82
Rot. Bonds6

About (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 25275507) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID25275507
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1
InChIInChI=1S/C23H25N5O2/c1-17-25-12-18(13-26-17)15-28-11-5-6-19(16-28)23(29)27-21-8-2-3-9-22(21)30-20-7-4-10-24-14-20/h2-4,7-10,12-14,19H,5-6,11,15-16H2,1H3,(H,27,29)/t19-/m1/s1
InChIKeyOKPPWGGAVDFNJZ-LJQANCHMSA-N
XLogP3.82
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[(5-ethylfuran-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25288806
(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42199128
(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42101490
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45233230
(3S)-1-(6-methylpyrimidin-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97273822
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25289271
1-(1H-imidazole-5-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45230988
(3R)-1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 93490668
1-benzyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 43919718
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
(3S)-1-(4-cyano-2-pyridinyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97275244
N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide
CID 45218608

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 25275507) is (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is Cc1ncc(CN2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1.
What is the InChIKey of (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is OKPPWGGAVDFNJZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17-25-12-18(13-26-17)15-28-11-5-6-19(16-28)23(29)27-21-8-2-3-9-22(21)30-20-7-4-10-24-14-20/h2-4,7-10,12-14,19H,5-6,11,15-16H2,1H3,(H,27,29)/t19-/m1/s1.
What are the key properties of (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 25275507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).