2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide

C15H21N5O — CID 95750431

IUPAC2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cnn(C[C@@H](C)NCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C15H21N5O/c1-12-7-19-20(10-12)11-13(2)17-9-15(21)18-8-14-5-3-4-6-16-14/h3-7,10,13,17H,8-9,11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyBRTHPPRIYWDMHO-CYBMUJFWSA-N
MW287.37 g/mol
LogP0.88
Rot. Bonds7

About 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide

2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95750431) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95750431
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCc1cnn(C[C@@H](C)NCC(=O)NCc2ccccn2)c1
InChIInChI=1S/C15H21N5O/c1-12-7-19-20(10-12)11-13(2)17-9-15(21)18-8-14-5-3-4-6-16-14/h3-7,10,13,17H,8-9,11H2,1-2H3,(H,18,21)/t13-/m1/s1
InChIKeyBRTHPPRIYWDMHO-CYBMUJFWSA-N
XLogP0.88
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95311797
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]acetamide
CID 95609012
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95354502
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
2-(4-aminopyrazol-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43445218
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290591
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 95608923

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide (CID 95750431) is 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide is Cc1cnn(C[C@@H](C)NCC(=O)NCc2ccccn2)c1.
What is the InChIKey of 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BRTHPPRIYWDMHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O/c1-12-7-19-20(10-12)11-13(2)17-9-15(21)18-8-14-5-3-4-6-16-14/h3-7,10,13,17H,8-9,11H2,1-2H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide?
2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 287.37 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95750431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).