7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C20H18ClN5O2 — CID 56932800

IUPAC7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(Nc1nccc(-c3ccc(Cl)nc3)n1)CC2
InChIInChI=1S/C20H18ClN5O2/c21-18-6-4-14(11-23-18)17-7-8-22-20(25-17)24-16-5-3-12-1-2-13(19(27)26-28)9-15(12)10-16/h1-2,4,6-9,11,16,28H,3,5,10H2,(H,26,27)(H,22,24,25)
InChIKeyGUSIXONWBMQKIS-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.28
Rot. Bonds4

About 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide

7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 56932800) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID56932800
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC Name7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CC(Nc1nccc(-c3ccc(Cl)nc3)n1)CC2
InChIInChI=1S/C20H18ClN5O2/c21-18-6-4-14(11-23-18)17-7-8-22-20(25-17)24-16-5-3-12-1-2-13(19(27)26-28)9-15(12)10-16/h1-2,4,6-9,11,16,28H,3,5,10H2,(H,26,27)(H,22,24,25)
InChIKeyGUSIXONWBMQKIS-UHFFFAOYSA-N
XLogP3.28
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 56932800) is 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is O=C(NO)c1ccc2c(c1)CC(Nc1nccc(-c3ccc(Cl)nc3)n1)CC2.
What is the InChIKey of 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is GUSIXONWBMQKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c21-18-6-4-14(11-23-18)17-7-8-22-20(25-17)24-16-5-3-12-1-2-13(19(27)26-28)9-15(12)10-16/h1-2,4,6-9,11,16,28H,3,5,10H2,(H,26,27)(H,22,24,25).
What are the key properties of 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(6-chloro-3-pyridinyl)pyrimidin-2-yl]amino]-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 56932800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).