(3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C20H23N7O2 — CID 96557457

IUPAC(3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOCc1nc(-c2ccc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cc2)n[nH]1
InChIInChI=1S/C20H23N7O2/c1-29-13-17-24-18(26-25-17)14-5-7-16(8-6-14)23-19(28)15-4-2-11-27(12-15)20-21-9-3-10-22-20/h3,5-10,15H,2,4,11-13H2,1H3,(H,23,28)(H,24,25,26)/t15-/m1/s1
InChIKeyLEEGXOIUSAZOOC-OAHLLOKOSA-N
MW393.45 g/mol
LogP2.26
Rot. Bonds6

About (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 96557457) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID96557457
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name(3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCOCc1nc(-c2ccc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cc2)n[nH]1
InChIInChI=1S/C20H23N7O2/c1-29-13-17-24-18(26-25-17)14-5-7-16(8-6-14)23-19(28)15-4-2-11-27(12-15)20-21-9-3-10-22-20/h3,5-10,15H,2,4,11-13H2,1H3,(H,23,28)(H,24,25,26)/t15-/m1/s1
InChIKeyLEEGXOIUSAZOOC-OAHLLOKOSA-N
XLogP2.26
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
(3R)-N-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556820
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 53106979
N-(4-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3223383
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 86207135
(3R)-N-(4-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085613
(3S)-N-(4-methylphenyl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085612
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 7435428
(3S)-N-(1H-indol-5-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 97263501
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 96557457) is (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is COCc1nc(-c2ccc(NC(=O)[C@@H]3CCCN(c4ncccn4)C3)cc2)n[nH]1.
What is the InChIKey of (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is LEEGXOIUSAZOOC-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-29-13-17-24-18(26-25-17)14-5-7-16(8-6-14)23-19(28)15-4-2-11-27(12-15)20-21-9-3-10-22-20/h3,5-10,15H,2,4,11-13H2,1H3,(H,23,28)(H,24,25,26)/t15-/m1/s1.
What are the key properties of (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 96557457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).