5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide

C21H20ClN3O2 — CID 137306738

IUPAC5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide
SMILESCC(C)Nc1cc(-c2ccccc2Cl)cc(-c2ccc(O)c(C(N)=O)c2)n1
InChIInChI=1S/C21H20ClN3O2/c1-12(2)24-20-11-14(15-5-3-4-6-17(15)22)10-18(25-20)13-7-8-19(26)16(9-13)21(23)27/h3-12,26H,1-2H3,(H2,23,27)(H,24,25)
InChIKeyQDBPCNHIWJCANB-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.69
Rot. Bonds5

About 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide

5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide (PubChem CID 137306738) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide
PubChem CID137306738
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide
SMILESCC(C)Nc1cc(-c2ccccc2Cl)cc(-c2ccc(O)c(C(N)=O)c2)n1
InChIInChI=1S/C21H20ClN3O2/c1-12(2)24-20-11-14(15-5-3-4-6-17(15)22)10-18(25-20)13-7-8-19(26)16(9-13)21(23)27/h3-12,26H,1-2H3,(H2,23,27)(H,24,25)
InChIKeyQDBPCNHIWJCANB-UHFFFAOYSA-N
XLogP4.69
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide?
The IUPAC name of 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide (CID 137306738) is 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide?
The canonical SMILES for 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide is CC(C)Nc1cc(-c2ccccc2Cl)cc(-c2ccc(O)c(C(N)=O)c2)n1.
What is the InChIKey of 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide?
The InChIKey is QDBPCNHIWJCANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-12(2)24-20-11-14(15-5-3-4-6-17(15)22)10-18(25-20)13-7-8-19(26)16(9-13)21(23)27/h3-12,26H,1-2H3,(H2,23,27)(H,24,25).
What are the key properties of 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide?
5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide has a molecular weight of 381.86 g/mol, XLogP of 4.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-chlorophenyl)-6-(propan-2-ylamino)-2-pyridinyl]-2-hydroxybenzamide is sourced from PubChem (CID 137306738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).