N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide

C13H16N4O — CID 131907349

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide
SMILESCc1[nH]ncc1CN(C)C(=O)Cc1ccncc1
InChIInChI=1S/C13H16N4O/c1-10-12(8-15-16-10)9-17(2)13(18)7-11-3-5-14-6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,16)
InChIKeyQSRRKNQFRBXQGN-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.31
Rot. Bonds4

About N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide

N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide (PubChem CID 131907349) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide
PubChem CID131907349
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide
SMILESCc1[nH]ncc1CN(C)C(=O)Cc1ccncc1
InChIInChI=1S/C13H16N4O/c1-10-12(8-15-16-10)9-17(2)13(18)7-11-3-5-14-6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,16)
InChIKeyQSRRKNQFRBXQGN-UHFFFAOYSA-N
XLogP1.31
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 122142215
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
N-[(4-bromo-2-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylacetamide
CID 122142220
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64510523
2-[[methyl-[(5-methyl-1H-pyrazol-4-yl)methyl]amino]methyl]benzoic acid
CID 77081201

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide (CID 131907349) is N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide is Cc1[nH]ncc1CN(C)C(=O)Cc1ccncc1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide?
The InChIKey is QSRRKNQFRBXQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-12(8-15-16-10)9-17(2)13(18)7-11-3-5-14-6-4-11/h3-6,8H,7,9H2,1-2H3,(H,15,16).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide?
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 131907349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).