3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

C21H24N4O2 — CID 60578734

IUPAC3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C21H24N4O2/c1-14(2)20(21(27)23-18-12-22-25(3)13-18)24-19(26)11-15-8-9-16-6-4-5-7-17(16)10-15/h4-10,12-14,20H,11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXYXCZKFRDQAVRE-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.90
Rot. Bonds6

About 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (PubChem CID 60578734) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
PubChem CID60578734
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C21H24N4O2/c1-14(2)20(21(27)23-18-12-22-25(3)13-18)24-19(26)11-15-8-9-16-6-4-5-7-17(16)10-15/h4-10,12-14,20H,11H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXYXCZKFRDQAVRE-UHFFFAOYSA-N
XLogP2.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 51125355
(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 94649304
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575678
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
N-[(2R)-2-(ethylamino)propyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide;hydrochloride
CID 120653472
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide
CID 42703790
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
CID 49214185

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The IUPAC name of 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide (CID 60578734) is 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide.
What is the SMILES notation for 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The canonical SMILES for 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is CC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1cnn(C)c1.
What is the InChIKey of 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
The InChIKey is XYXCZKFRDQAVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(2)20(21(27)23-18-12-22-25(3)13-18)24-19(26)11-15-8-9-16-6-4-5-7-17(16)10-15/h4-10,12-14,20H,11H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide?
3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide has a molecular weight of 364.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide is sourced from PubChem (CID 60578734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).