2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide

C20H23N5O — CID 120669656

IUPAC2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1
InChIInChI=1S/C20H23N5O/c1-13-4-7-17(8-5-13)19(21)20(26)23-12-16-6-9-18(22-11-16)25-15(3)10-14(2)24-25/h4-11,19H,12,21H2,1-3H3,(H,23,26)
InChIKeyMGHYSRMZWLJAAL-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.51
Rot. Bonds5

About 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide

2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide (PubChem CID 120669656) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
PubChem CID120669656
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(N)C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1
InChIInChI=1S/C20H23N5O/c1-13-4-7-17(8-5-13)19(21)20(26)23-12-16-6-9-18(22-11-16)25-15(3)10-14(2)24-25/h4-11,19H,12,21H2,1-3H3,(H,23,26)
InChIKeyMGHYSRMZWLJAAL-UHFFFAOYSA-N
XLogP2.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)methanamine
CID 47052510
1-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848586
3-[2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoylamino]phenyl]sulfanylpropanamide
CID 56586705
2,5-dichloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]thiophene-3-carboxamide
CID 55801093
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-4,4,4-trifluoro-3-hydroxy-3-methylbutanamide
CID 51120474
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxypyridine-4-carboxamide
CID 99810655
2-(aminomethyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119848605
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393
N-[1-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 55800621
(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide
CID 95974510
1-cyclopropyl-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(2-hydroxyethyl)urea
CID 110896107

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide (CID 120669656) is 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(N)C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1.
What is the InChIKey of 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is MGHYSRMZWLJAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-4-7-17(8-5-13)19(21)20(26)23-12-16-6-9-18(22-11-16)25-15(3)10-14(2)24-25/h4-11,19H,12,21H2,1-3H3,(H,23,26).
What are the key properties of 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120669656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).