2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide

C20H26ClN3O2 — CID 66639462

IUPAC2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1cccc(Cl)c1
InChIInChI=1S/C20H26ClN3O2/c1-20(2,3)24-19(26)15-8-5-9-23-17(15)12-18(25)16(22)11-13-6-4-7-14(21)10-13/h4-10,16,18,25H,11-12,22H2,1-3H3,(H,24,26)/t16-,18+/m1/s1
InChIKeyZJMZGUFEWODODZ-AEFFLSMTSA-N
MW375.90 g/mol
LogP2.74
Rot. Bonds6

About 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide

2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide (PubChem CID 66639462) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
PubChem CID66639462
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1cccc(Cl)c1
InChIInChI=1S/C20H26ClN3O2/c1-20(2,3)24-19(26)15-8-5-9-23-17(15)12-18(25)16(22)11-13-6-4-7-14(21)10-13/h4-10,16,18,25H,11-12,22H2,1-3H3,(H,24,26)/t16-,18+/m1/s1
InChIKeyZJMZGUFEWODODZ-AEFFLSMTSA-N
XLogP2.74
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565306
2-[(2S,3R)-3-amino-4-(4-chloro-2,5-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66638851
2-[3-amino-4-[5-fluoro-2-(trifluoromethyl)phenyl]-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565307
N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide
CID 70316855
N-tert-butyl-3-[2-(3-chlorophenyl)ethyl]pyridine-2-carboxamide;N-tert-butyl-3-methylpyridine-2-carboxamide
CID 159745684
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
(2R,3R)-3-amino-4-(3-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 95476134
3-amino-1-(3-chlorophenyl)butan-2-ol
CID 82397554
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
2-(3-chlorophenyl)-1-(2-methyl-3-pyridinyl)ethanol
CID 105076776
benzyl N-[(2R)-4-[3-(tert-butylcarbamoyl)-2-pyridinyl]-3-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
CID 66639506

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide?
The IUPAC name of 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide (CID 66639462) is 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide?
The canonical SMILES for 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide is CC(C)(C)NC(=O)c1cccnc1C[C@H](O)[C@H](N)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide?
The InChIKey is ZJMZGUFEWODODZ-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-20(2,3)24-19(26)15-8-5-9-23-17(15)12-18(25)16(22)11-13-6-4-7-14(21)10-13/h4-10,16,18,25H,11-12,22H2,1-3H3,(H,24,26)/t16-,18+/m1/s1.
What are the key properties of 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide?
2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide is sourced from PubChem (CID 66639462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).