(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide

C20H26N2O — CID 100653110

IUPAC(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
SMILESCC(C)[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)c1cccnc1
InChIInChI=1S/C20H26N2O/c1-15(2)19(18-10-7-13-21-14-18)20(23)22-16(3)11-12-17-8-5-4-6-9-17/h4-10,13-16,19H,11-12H2,1-3H3,(H,22,23)/t16-,19+/m0/s1
InChIKeyHOSADUVULRWIBB-QFBILLFUSA-N
MW310.44 g/mol
LogP3.96
Rot. Bonds7

About (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide

(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide (PubChem CID 100653110) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
PubChem CID100653110
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
SMILESCC(C)[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)c1cccnc1
InChIInChI=1S/C20H26N2O/c1-15(2)19(18-10-7-13-21-14-18)20(23)22-16(3)11-12-17-8-5-4-6-9-17/h4-10,13-16,19H,11-12H2,1-3H3,(H,22,23)/t16-,19+/m0/s1
InChIKeyHOSADUVULRWIBB-QFBILLFUSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
(2R)-2-(N-(2,2-dichloroacetyl)-4-phenylanilino)-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylacetamide
CID 162396347
2-amino-2-phenyl-N-(4-phenylbutan-2-yl)acetamide
CID 61254237
3-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 110316795
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
(2R)-2-amino-N-(4-phenylbutan-2-yl)propanamide
CID 14620809
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide?
The IUPAC name of (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide (CID 100653110) is (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide.
What is the SMILES notation for (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide?
The canonical SMILES for (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide is CC(C)[C@@H](C(=O)N[C@@H](C)CCc1ccccc1)c1cccnc1.
What is the InChIKey of (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide?
The InChIKey is HOSADUVULRWIBB-QFBILLFUSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15(2)19(18-10-7-13-21-14-18)20(23)22-16(3)11-12-17-8-5-4-6-9-17/h4-10,13-16,19H,11-12H2,1-3H3,(H,22,23)/t16-,19+/m0/s1.
What are the key properties of (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide?
(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide has a molecular weight of 310.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide is sourced from PubChem (CID 100653110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).