2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide

C16H19N3O2 — CID 104905410

IUPAC2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@@H](NC(=O)C(N)Cc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C16H19N3O2/c1-11(13-3-2-8-18-10-13)19-16(21)15(17)9-12-4-6-14(20)7-5-12/h2-8,10-11,15,20H,9,17H2,1H3,(H,19,21)/t11-,15?/m1/s1
InChIKeyCNQVYYXDYMVFOY-ZRKZCGFPSA-N
MW285.35 g/mol
LogP1.53
Rot. Bonds5

About 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide

2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide (PubChem CID 104905410) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
PubChem CID104905410
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
SMILESC[C@@H](NC(=O)C(N)Cc1ccc(O)cc1)c1cccnc1
InChIInChI=1S/C16H19N3O2/c1-11(13-3-2-8-18-10-13)19-16(21)15(17)9-12-4-6-14(20)7-5-12/h2-8,10-11,15,20H,9,17H2,1H3,(H,19,21)/t11-,15?/m1/s1
InChIKeyCNQVYYXDYMVFOY-ZRKZCGFPSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
(2R)-2-amino-3,3-dimethyl-N-(1-pyridin-3-ylethyl)butanamide
CID 103928477
(2S)-2-amino-4-methylsulfanyl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81405060
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 119998833

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide (CID 104905410) is 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide is C[C@@H](NC(=O)C(N)Cc1ccc(O)cc1)c1cccnc1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
The InChIKey is CNQVYYXDYMVFOY-ZRKZCGFPSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(13-3-2-8-18-10-13)19-16(21)15(17)9-12-4-6-14(20)7-5-12/h2-8,10-11,15,20H,9,17H2,1H3,(H,19,21)/t11-,15?/m1/s1.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide?
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide has a molecular weight of 285.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 104905410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).