7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C21H19ClN4O2 — CID 56932696

IUPAC7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(Nc1nccc(-c3ccc(Cl)cc3)n1)CC2
InChIInChI=1S/C21H19ClN4O2/c22-17-6-3-14(4-7-17)19-9-10-23-21(25-19)24-18-8-5-13-1-2-15(20(27)26-28)11-16(13)12-18/h1-4,6-7,9-11,18,28H,5,8,12H2,(H,26,27)(H,23,24,25)
InChIKeyDGOWMYIMGIQTSW-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.89
Rot. Bonds4

About 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 56932696) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID56932696
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(Nc1nccc(-c3ccc(Cl)cc3)n1)CC2
InChIInChI=1S/C21H19ClN4O2/c22-17-6-3-14(4-7-17)19-9-10-23-21(25-19)24-18-8-5-13-1-2-15(20(27)26-28)11-16(13)12-18/h1-4,6-7,9-11,18,28H,5,8,12H2,(H,26,27)(H,23,24,25)
InChIKeyDGOWMYIMGIQTSW-UHFFFAOYSA-N
XLogP3.89
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 56932696) is 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NO)c1ccc2c(c1)CC(Nc1nccc(-c3ccc(Cl)cc3)n1)CC2.
What is the InChIKey of 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DGOWMYIMGIQTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-6-3-14(4-7-17)19-9-10-23-21(25-19)24-18-8-5-13-1-2-15(20(27)26-28)11-16(13)12-18/h1-4,6-7,9-11,18,28H,5,8,12H2,(H,26,27)(H,23,24,25).
What are the key properties of 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 56932696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).