3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide

C20H23N5O2 — CID 126435015

IUPAC3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCOC[C@H](NC(=O)c1cccc(-c2cnc(N)cc2C)c1)c1ccnn1C
InChIInChI=1S/C20H23N5O2/c1-13-9-19(21)22-11-16(13)14-5-4-6-15(10-14)20(26)24-17(12-27-3)18-7-8-23-25(18)2/h4-11,17H,12H2,1-3H3,(H2,21,22)(H,24,26)/t17-/m0/s1
InChIKeyDYWOLKAZEUXPKY-KRWDZBQOSA-N
MW365.44 g/mol
LogP2.49
Rot. Bonds6

About 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide

3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 126435015) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID126435015
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCOC[C@H](NC(=O)c1cccc(-c2cnc(N)cc2C)c1)c1ccnn1C
InChIInChI=1S/C20H23N5O2/c1-13-9-19(21)22-11-16(13)14-5-4-6-15(10-14)20(26)24-17(12-27-3)18-7-8-23-25(18)2/h4-11,17H,12H2,1-3H3,(H2,21,22)(H,24,26)/t17-/m0/s1
InChIKeyDYWOLKAZEUXPKY-KRWDZBQOSA-N
XLogP2.49
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
CID 97198905
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 125158366
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 135088798
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 95193065
2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 97284536
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91760742
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 126451107
1-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-[3-(piperidine-1-carbonyl)phenyl]urea
CID 118766700

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide (CID 126435015) is 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide is COC[C@H](NC(=O)c1cccc(-c2cnc(N)cc2C)c1)c1ccnn1C.
What is the InChIKey of 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is DYWOLKAZEUXPKY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-9-19(21)22-11-16(13)14-5-4-6-15(10-14)20(26)24-17(12-27-3)18-7-8-23-25(18)2/h4-11,17H,12H2,1-3H3,(H2,21,22)(H,24,26)/t17-/m0/s1.
What are the key properties of 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide?
3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 365.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 126435015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).