3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide

C17H20N2O — CID 36947465

IUPAC3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
SMILESCC(C)CC(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C17H20N2O/c1-13(2)12-16(20)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,13,17H,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyHEEGRHGOSVTRKV-KRWDZBQOSA-N
MW268.36 g/mol
LogP3.33
Rot. Bonds5

About 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide

3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide (PubChem CID 36947465) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
PubChem CID36947465
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
SMILESCC(C)CC(=O)N[C@@H](c1ccccc1)c1ccccn1
InChIInChI=1S/C17H20N2O/c1-13(2)12-16(20)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,13,17H,12H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKeyHEEGRHGOSVTRKV-KRWDZBQOSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methylsulfanyl-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 43008393
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-[(1R)-1-phenylethyl]-2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725829
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
N-[cyano(pyridin-2-yl)methyl]-3-methylbutanamide
CID 82113908
2-naphthalen-2-yl-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42999680
3-(2-methoxyphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 78778808
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(S)-phenyl(pyridin-2-yl)methyl]acetamide
CID 25408467
4-(4-ethylphenyl)-4-oxo-N-[phenyl(pyridin-2-yl)methyl]butanamide
CID 51152072
3-(3,5-dimethylphenoxy)-N-[phenyl(pyridin-2-yl)methyl]propanamide
CID 134048419
1-butyl-3-[(S)-phenyl(pyridin-2-yl)methyl]urea
CID 36961565
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 24509475

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide?
The IUPAC name of 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide (CID 36947465) is 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide.
What is the SMILES notation for 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide?
The canonical SMILES for 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide is CC(C)CC(=O)N[C@@H](c1ccccc1)c1ccccn1.
What is the InChIKey of 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide?
The InChIKey is HEEGRHGOSVTRKV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(2)12-16(20)19-17(14-8-4-3-5-9-14)15-10-6-7-11-18-15/h3-11,13,17H,12H2,1-2H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide?
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide has a molecular weight of 268.36 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide is sourced from PubChem (CID 36947465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).