(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide

C16H19N3O2 — CID 104905125

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](N)Cc2ccc(O)cc2)cn1
InChIInChI=1S/C16H19N3O2/c1-11-2-3-13(9-18-11)10-19-16(21)15(17)8-12-4-6-14(20)7-5-12/h2-7,9,15,20H,8,10,17H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyVBEALTQIGLDMPN-OAHLLOKOSA-N
MW285.35 g/mol
LogP1.28
Rot. Bonds5

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide (PubChem CID 104905125) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
PubChem CID104905125
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)[C@H](N)Cc2ccc(O)cc2)cn1
InChIInChI=1S/C16H19N3O2/c1-11-2-3-13(9-18-11)10-19-16(21)15(17)8-12-4-6-14(20)7-5-12/h2-7,9,15,20H,8,10,17H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyVBEALTQIGLDMPN-OAHLLOKOSA-N
XLogP1.28
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 77020366
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-5-ylmethyl)propanamide
CID 104905604

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide (CID 104905125) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide is Cc1ccc(CNC(=O)[C@H](N)Cc2ccc(O)cc2)cn1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
The InChIKey is VBEALTQIGLDMPN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-2-3-13(9-18-11)10-19-16(21)15(17)8-12-4-6-14(20)7-5-12/h2-7,9,15,20H,8,10,17H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 104905125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).