2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide

C13H19ClN2O2 — CID 95987001

IUPAC2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
SMILESCC[C@@H](C)[C@@](C)(O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-9(2)13(3,18)8-16-12(17)10-6-5-7-15-11(10)14/h5-7,9,18H,4,8H2,1-3H3,(H,16,17)/t9-,13+/m1/s1
InChIKeyGBIUPCWEQKLBSI-RNCFNFMXSA-N
MW270.76 g/mol
LogP2.26
Rot. Bonds5

About 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide

2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide (PubChem CID 95987001) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
PubChem CID95987001
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide
SMILESCC[C@@H](C)[C@@](C)(O)CNC(=O)c1cccnc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-9(2)13(3,18)8-16-12(17)10-6-5-7-15-11(10)14/h5-7,9,18H,4,8H2,1-3H3,(H,16,17)/t9-,13+/m1/s1
InChIKeyGBIUPCWEQKLBSI-RNCFNFMXSA-N
XLogP2.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-ethoxy-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111446636
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
N-(2-hydroxy-2,3-dimethylbutyl)-2-(propan-2-ylamino)pyridine-3-carboxamide
CID 111483935
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
4-formyl-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111463682
2-chloro-N-(2-oxobutyl)pyridine-3-carboxamide
CID 174535756
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213
N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide (CID 95987001) is 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide is CC[C@@H](C)[C@@](C)(O)CNC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide?
The InChIKey is GBIUPCWEQKLBSI-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-9(2)13(3,18)8-16-12(17)10-6-5-7-15-11(10)14/h5-7,9,18H,4,8H2,1-3H3,(H,16,17)/t9-,13+/m1/s1.
What are the key properties of 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide?
2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R,3R)-2-hydroxy-2,3-dimethylpentyl]pyridine-3-carboxamide is sourced from PubChem (CID 95987001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).