3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

C20H22N4O2 — CID 126452566

IUPAC3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)c2)cn1
InChIInChI=1S/C20H22N4O2/c1-13(9-18-10-14(2)23-24-18)22-20(25)16-6-4-5-15(11-16)17-7-8-19(26-3)21-12-17/h4-8,10-13H,9H2,1-3H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyZORGGBJFIVAZMK-ZDUSSCGKSA-N
MW350.42 g/mol
LogP3.15
Rot. Bonds6

About 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide

3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (PubChem CID 126452566) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
PubChem CID126452566
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)c2)cn1
InChIInChI=1S/C20H22N4O2/c1-13(9-18-10-14(2)23-24-18)22-20(25)16-6-4-5-15(11-16)17-7-8-19(26-3)21-12-17/h4-8,10-13H,9H2,1-3H3,(H,22,25)(H,23,24)/t13-/m0/s1
InChIKeyZORGGBJFIVAZMK-ZDUSSCGKSA-N
XLogP3.15
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 125438528
4-(2,6-dimethyl-4-pyridinyl)-N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 126423253
4-[4-(2-hydroxyethyl)phenyl]-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 121498220
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 97004654
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrazine-3-carboxamide
CID 95228203
N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 95219990
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70708653
1-methyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzotriazole-5-carboxamide
CID 56750222
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-3-phenylbenzamide
CID 91773131
3-(6-methoxy-3-pyridinyl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 126446000
N-[(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 126432960
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 131890136

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide (CID 126452566) is 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is COc1ccc(-c2cccc(C(=O)N[C@@H](C)Cc3cc(C)[nH]n3)c2)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
The InChIKey is ZORGGBJFIVAZMK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13(9-18-10-14(2)23-24-18)22-20(25)16-6-4-5-15(11-16)17-7-8-19(26-3)21-12-17/h4-8,10-13H,9H2,1-3H3,(H,22,25)(H,23,24)/t13-/m0/s1.
What are the key properties of 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide?
3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 126452566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).