3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide

C22H23N3O2 — CID 60575847

IUPAC3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccncc1
InChIInChI=1S/C22H23N3O2/c1-15(2)21(22(27)24-19-9-11-23-12-10-19)25-20(26)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-13,15,21H,14H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyIAHQBTIVKQBAMZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.56
Rot. Bonds6

About 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide

3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide (PubChem CID 60575847) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
PubChem CID60575847
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
SMILESCC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccncc1
InChIInChI=1S/C22H23N3O2/c1-15(2)21(22(27)24-19-9-11-23-12-10-19)25-20(26)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-13,15,21H,14H2,1-2H3,(H,25,26)(H,23,24,27)
InChIKeyIAHQBTIVKQBAMZ-UHFFFAOYSA-N
XLogP3.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(4-methylphenyl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60575785
2-naphthalen-2-yl-N-pyridin-4-ylacetamide
CID 25336159
3-methyl-N-(1-methylpyrazol-4-yl)-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60578734
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 51125355
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
2-methyl-3-[[3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanoyl]amino]propanoic acid
CID 119237542
(2S)-N-(2-imidazol-1-ylethyl)-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 94649304
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610497
2-(carbamoylamino)-3-methyl-N-naphthalen-2-ylbutanamide
CID 4637022
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
CID 25354479
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide?
The IUPAC name of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide (CID 60575847) is 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide?
The canonical SMILES for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide is CC(C)C(NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccncc1.
What is the InChIKey of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide?
The InChIKey is IAHQBTIVKQBAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(2)21(22(27)24-19-9-11-23-12-10-19)25-20(26)14-16-7-8-17-5-3-4-6-18(17)13-16/h3-13,15,21H,14H2,1-2H3,(H,25,26)(H,23,24,27).
What are the key properties of 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide?
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide has a molecular weight of 361.45 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 60575847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).