(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide

C16H22N6O2 — CID 126440384

IUPAC(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCOCc1cc(CNC(=O)N2CCC[C@H](c3ccncn3)C2)[nH]n1
InChIInChI=1S/C16H22N6O2/c1-24-10-14-7-13(20-21-14)8-18-16(23)22-6-2-3-12(9-22)15-4-5-17-11-19-15/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,18,23)(H,20,21)/t12-/m0/s1
InChIKeyZGUJVJXIYRFLTA-LBPRGKRZSA-N
MW330.39 g/mol
LogP1.44
Rot. Bonds5

About (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide

(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide (PubChem CID 126440384) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
PubChem CID126440384
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide
SMILESCOCc1cc(CNC(=O)N2CCC[C@H](c3ccncn3)C2)[nH]n1
InChIInChI=1S/C16H22N6O2/c1-24-10-14-7-13(20-21-14)8-18-16(23)22-6-2-3-12(9-22)15-4-5-17-11-19-15/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,18,23)(H,20,21)/t12-/m0/s1
InChIKeyZGUJVJXIYRFLTA-LBPRGKRZSA-N
XLogP1.44
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide (CID 126440384) is (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide is COCc1cc(CNC(=O)N2CCC[C@H](c3ccncn3)C2)[nH]n1.
What is the InChIKey of (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
The InChIKey is ZGUJVJXIYRFLTA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-24-10-14-7-13(20-21-14)8-18-16(23)22-6-2-3-12(9-22)15-4-5-17-11-19-15/h4-5,7,11-12H,2-3,6,8-10H2,1H3,(H,18,23)(H,20,21)/t12-/m0/s1.
What are the key properties of (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide?
(3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-pyrimidin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 126440384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).