(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide

C15H16ClN3O2 — CID 104905272

IUPAC(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1ccnc(Cl)c1NC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H16ClN3O2/c1-9-6-7-18-14(16)13(9)19-15(21)12(17)8-10-2-4-11(20)5-3-10/h2-7,12,20H,8,17H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyGNJKYPILQVTUQA-GFCCVEGCSA-N
MW305.77 g/mol
LogP2.26
Rot. Bonds4

About (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104905272) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104905272
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1ccnc(Cl)c1NC(=O)[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C15H16ClN3O2/c1-9-6-7-18-14(16)13(9)19-15(21)12(17)8-10-2-4-11(20)5-3-10/h2-7,12,20H,8,17H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyGNJKYPILQVTUQA-GFCCVEGCSA-N
XLogP2.26
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-(2-chloro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905306
2-amino-N-(2,6-dichlorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 77067964
(2R)-2-amino-N-(2-fluoro-6-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905619
(2R)-2-amino-N-(2-chloro-4-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904678
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 104904532
ethyl N-(2-chloro-4-methyl-3-pyridinyl)carbamate
CID 65490501
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 61148539
(2R)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905499
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
CID 104905050
2-amino-3-(4-hydroxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 114350796
3-[(2-chloro-4-methyl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 65490498

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide (CID 104905272) is (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide is Cc1ccnc(Cl)c1NC(=O)[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is GNJKYPILQVTUQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-6-7-18-14(16)13(9)19-15(21)12(17)8-10-2-4-11(20)5-3-10/h2-7,12,20H,8,17H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 305.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-chloro-4-methyl-3-pyridinyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104905272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).