3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide

C20H22N4O2 — CID 125445501

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
SMILESCc1c(-c2cccc(C(=O)NC[C@H](C)Oc3cccnc3)c2)cnn1C
InChIInChI=1S/C20H22N4O2/c1-14(26-18-8-5-9-21-12-18)11-22-20(25)17-7-4-6-16(10-17)19-13-23-24(3)15(19)2/h4-10,12-14H,11H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeySMMSGZCZIKEUFS-AWEZNQCLSA-N
MW350.42 g/mol
LogP2.99
Rot. Bonds6

About 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide

3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide (PubChem CID 125445501) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
PubChem CID125445501
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide
SMILESCc1c(-c2cccc(C(=O)NC[C@H](C)Oc3cccnc3)c2)cnn1C
InChIInChI=1S/C20H22N4O2/c1-14(26-18-8-5-9-21-12-18)11-22-20(25)17-7-4-6-16(10-17)19-13-23-24(3)15(19)2/h4-10,12-14H,11H2,1-3H3,(H,22,25)/t14-/m0/s1
InChIKeySMMSGZCZIKEUFS-AWEZNQCLSA-N
XLogP2.99
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-pyridin-3-yloxypropyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95130947
4-(4-methylpiperazin-1-yl)-N-(2-pyridin-3-yloxypropyl)benzamide
CID 90653299
2,5-dimethyl-N-(2-pyridin-3-yloxypropyl)furan-3-carboxamide
CID 90649337
2-amino-6-methyl-N-[(2R)-2-pyridin-3-yloxypropyl]pyrimidine-4-carboxamide
CID 95192547
2-ethylsulfanyl-N-[(2R)-2-pyridin-3-yloxypropyl]acetamide
CID 124753809
3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
CID 71914773
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267
4-methyl-N-[2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]benzamide
CID 118756279
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
CID 99931121

Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide (CID 125445501) is 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide is Cc1c(-c2cccc(C(=O)NC[C@H](C)Oc3cccnc3)c2)cnn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide?
The InChIKey is SMMSGZCZIKEUFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-14(26-18-8-5-9-21-12-18)11-22-20(25)17-7-4-6-16(10-17)19-13-23-24(3)15(19)2/h4-10,12-14H,11H2,1-3H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide?
3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N-[(2S)-2-pyridin-3-yloxypropyl]benzamide is sourced from PubChem (CID 125445501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).