(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide

C23H25N3O2 — CID 25354479

IUPAC(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
SMILESCC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1ccncc1
InChIInChI=1S/C23H25N3O2/c1-16(2)22(23(28)25-15-17-10-12-24-13-11-17)26-21(27)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,16,22H,14-15H2,1-2H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyYILDDRHKBGUTFG-JOCHJYFZSA-N
MW375.47 g/mol
LogP3.23
Rot. Bonds7

About (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide

(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide (PubChem CID 25354479) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
PubChem CID25354479
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide
SMILESCC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1ccncc1
InChIInChI=1S/C23H25N3O2/c1-16(2)22(23(28)25-15-17-10-12-24-13-11-17)26-21(27)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,16,22H,14-15H2,1-2H3,(H,25,28)(H,26,27)/t22-/m1/s1
InChIKeyYILDDRHKBGUTFG-JOCHJYFZSA-N
XLogP3.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-methoxyphenyl)methyl]-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 26002941
3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 17474218
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-2-ylmethyl)butanamide
CID 9206028
2-[[(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoyl]amino]acetic acid
CID 122366195
(2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 2084038
(2S)-N-(3,5-dimethylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7611312
(2S)-N-(3-methoxyphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7999144
(2S)-N-(4-tert-butylphenyl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 7610874
3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]-N-pyridin-4-ylbutanamide
CID 60575847
benzyl N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 87040217
phenyl (2S)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate
CID 9138862
2-naphthalen-1-yl-N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 25356977

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide?
The IUPAC name of (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide (CID 25354479) is (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide?
The canonical SMILES for (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide is CC(C)[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NCc1ccncc1.
What is the InChIKey of (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide?
The InChIKey is YILDDRHKBGUTFG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16(2)22(23(28)25-15-17-10-12-24-13-11-17)26-21(27)14-19-8-5-7-18-6-3-4-9-20(18)19/h3-13,16,22H,14-15H2,1-2H3,(H,25,28)(H,26,27)/t22-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide?
(2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide has a molecular weight of 375.47 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]-N-(pyridin-4-ylmethyl)butanamide is sourced from PubChem (CID 25354479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).