5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide

C15H16ClN3O2 — CID 133375865

IUPAC5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
SMILESCc1cccc(C(O)CNc2ncc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C15H16ClN3O2/c1-9-3-2-4-10(5-9)13(20)8-19-15-12(16)6-11(7-18-15)14(17)21/h2-7,13,20H,8H2,1H3,(H2,17,21)(H,18,19)
InChIKeyCKBIDURQKFHNFF-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.29
Rot. Bonds5

About 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide

5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide (PubChem CID 133375865) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
PubChem CID133375865
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
SMILESCc1cccc(C(O)CNc2ncc(C(N)=O)cc2Cl)c1
InChIInChI=1S/C15H16ClN3O2/c1-9-3-2-4-10(5-9)13(20)8-19-15-12(16)6-11(7-18-15)14(17)21/h2-7,13,20H,8H2,1H3,(H2,17,21)(H,18,19)
InChIKeyCKBIDURQKFHNFF-UHFFFAOYSA-N
XLogP2.29
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide
CID 133308115
5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 94801285
2-(2-chloroanilino)-1-(3-methylphenyl)ethanol
CID 82044958
5-chloro-6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 56798988
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-1-(3-methylphenyl)ethanol
CID 133375916
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
5-chloro-6-[(2-methylpyrimidin-4-yl)methylamino]pyridine-3-carboxamide
CID 47059518
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375786
5-chloro-6-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133272654
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532
6-[(4-bromophenyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133292879

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide (CID 133375865) is 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide is Cc1cccc(C(O)CNc2ncc(C(N)=O)cc2Cl)c1.
What is the InChIKey of 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide?
The InChIKey is CKBIDURQKFHNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-9-3-2-4-10(5-9)13(20)8-19-15-12(16)6-11(7-18-15)14(17)21/h2-7,13,20H,8H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide?
5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133375865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).