N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide

C20H22N4O2 — CID 125448562

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1cccc(-c2cccc([C@H](C)O)n2)c1
InChIInChI=1S/C20H22N4O2/c1-12-17(13(2)24-23-12)11-21-20(26)16-7-4-6-15(10-16)19-9-5-8-18(22-19)14(3)25/h4-10,14,25H,11H2,1-3H3,(H,21,26)(H,23,24)/t14-/m0/s1
InChIKeyCWVDMEBLVGJEGI-AWEZNQCLSA-N
MW350.42 g/mol
LogP3.07
Rot. Bonds5

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide (PubChem CID 125448562) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
PubChem CID125448562
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
SMILESCc1n[nH]c(C)c1CNC(=O)c1cccc(-c2cccc([C@H](C)O)n2)c1
InChIInChI=1S/C20H22N4O2/c1-12-17(13(2)24-23-12)11-21-20(26)16-7-4-6-15(10-16)19-9-5-8-18(22-19)14(3)25/h4-10,14,25H,11H2,1-3H3,(H,21,26)(H,23,24)/t14-/m0/s1
InChIKeyCWVDMEBLVGJEGI-AWEZNQCLSA-N
XLogP3.07
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-[4-[(1R)-1-hydroxyethyl]phenyl]benzamide
CID 126440416
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125437509
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 125443212
3-(5-acetyl-2-pyridinyl)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]benzamide
CID 122568538
3-[5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]-N-(furan-2-ylmethyl)benzamide
CID 166233659
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-3-ethoxy-2-hydroxypropyl]benzamide
CID 125171716
(2R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-naphthalen-2-yloxypropanamide
CID 97148279
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(2H-tetrazol-5-yl)benzamide
CID 43546652
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]acetamide
CID 126831793

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide (CID 125448562) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide is Cc1n[nH]c(C)c1CNC(=O)c1cccc(-c2cccc([C@H](C)O)n2)c1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide?
The InChIKey is CWVDMEBLVGJEGI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-17(13(2)24-23-12)11-21-20(26)16-7-4-6-15(10-16)19-9-5-8-18(22-19)14(3)25/h4-10,14,25H,11H2,1-3H3,(H,21,26)(H,23,24)/t14-/m0/s1.
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 125448562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).