2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide

C19H21N5O — CID 99776917

IUPAC2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide
SMILESCc1ccc(N[C@H](C)c2cnn(-c3ccccn3)c2C)cc1C(N)=O
InChIInChI=1S/C19H21N5O/c1-12-7-8-15(10-16(12)19(20)25)23-13(2)17-11-22-24(14(17)3)18-6-4-5-9-21-18/h4-11,13,23H,1-3H3,(H2,20,25)/t13-/m1/s1
InChIKeyRBRXKOTWCQFDBH-CYBMUJFWSA-N
MW335.41 g/mol
LogP3.16
Rot. Bonds5

About 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide

2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide (PubChem CID 99776917) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide
PubChem CID99776917
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide
SMILESCc1ccc(N[C@H](C)c2cnn(-c3ccccn3)c2C)cc1C(N)=O
InChIInChI=1S/C19H21N5O/c1-12-7-8-15(10-16(12)19(20)25)23-13(2)17-11-22-24(14(17)3)18-6-4-5-9-21-18/h4-11,13,23H,1-3H3,(H2,20,25)/t13-/m1/s1
InChIKeyRBRXKOTWCQFDBH-CYBMUJFWSA-N
XLogP3.16
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
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N-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-2-(4-methylsulfanylphenyl)acetamide
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5-[1-(2,5-difluorophenyl)ethylamino]-2-methylbenzamide
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1-(2-methoxy-5-methylphenyl)-3-[1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide?
The IUPAC name of 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide (CID 99776917) is 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide.
What is the SMILES notation for 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide?
The canonical SMILES for 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide is Cc1ccc(N[C@H](C)c2cnn(-c3ccccn3)c2C)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide?
The InChIKey is RBRXKOTWCQFDBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-7-8-15(10-16(12)19(20)25)23-13(2)17-11-22-24(14(17)3)18-6-4-5-9-21-18/h4-11,13,23H,1-3H3,(H2,20,25)/t13-/m1/s1.
What are the key properties of 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide?
2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide is sourced from PubChem (CID 99776917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).