(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide

C18H23N3O2 — CID 119846196

IUPAC(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C18H23N3O2/c1-13(2)9-17(19)18(22)21-15-6-3-7-16(10-15)23-12-14-5-4-8-20-11-14/h3-8,10-11,13,17H,9,12,19H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyDGKRBYYAXZLECK-KRWDZBQOSA-N
MW313.40 g/mol
LogP2.97
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide

(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide (PubChem CID 119846196) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide
PubChem CID119846196
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1cccc(OCc2cccnc2)c1
InChIInChI=1S/C18H23N3O2/c1-13(2)9-17(19)18(22)21-15-6-3-7-16(10-15)23-12-14-5-4-8-20-11-14/h3-8,10-11,13,17H,9,12,19H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyDGKRBYYAXZLECK-KRWDZBQOSA-N
XLogP2.97
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846173
3-amino-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119846183
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
2-amino-2-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]propanamide;dihydrochloride
CID 119846147
(2R)-2-amino-N-[3-(cyanomethoxy)phenyl]-4-methylpentanamide
CID 104902849
(2S)-2-amino-4-methyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide;hydrochloride
CID 119727329
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylpentanamide;hydrochloride
CID 119707765
2-amino-4-methyl-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 24691365
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide (CID 119846196) is (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide is CC(C)C[C@H](N)C(=O)Nc1cccc(OCc2cccnc2)c1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide?
The InChIKey is DGKRBYYAXZLECK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)9-17(19)18(22)21-15-6-3-7-16(10-15)23-12-14-5-4-8-20-11-14/h3-8,10-11,13,17H,9,12,19H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide has a molecular weight of 313.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[3-(pyridin-3-ylmethoxy)phenyl]pentanamide is sourced from PubChem (CID 119846196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).