(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C20H21N3O4 — CID 56601558

IUPAC(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1cc(Oc2ccc3c(c2)C[C@@H](C(=O)NO)CC3)ccn1)C1CC1
InChIInChI=1S/C20H21N3O4/c24-19(13-2-3-13)22-18-11-17(7-8-21-18)27-16-6-5-12-1-4-14(20(25)23-26)9-15(12)10-16/h5-8,10-11,13-14,26H,1-4,9H2,(H,23,25)(H,21,22,24)/t14-/m0/s1
InChIKeySUKNPMUZBIXMJN-AWEZNQCLSA-N
MW367.41 g/mol
LogP2.83
Rot. Bonds5

About (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide

(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 56601558) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID56601558
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1cc(Oc2ccc3c(c2)C[C@@H](C(=O)NO)CC3)ccn1)C1CC1
InChIInChI=1S/C20H21N3O4/c24-19(13-2-3-13)22-18-11-17(7-8-21-18)27-16-6-5-12-1-4-14(20(25)23-26)9-15(12)10-16/h5-8,10-11,13-14,26H,1-4,9H2,(H,23,25)(H,21,22,24)/t14-/m0/s1
InChIKeySUKNPMUZBIXMJN-AWEZNQCLSA-N
XLogP2.83
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.83
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 (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 56601558) is (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(Nc1cc(Oc2ccc3c(c2)C[C@@H](C(=O)NO)CC3)ccn1)C1CC1.
What is the InChIKey of (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is SUKNPMUZBIXMJN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N3O4/c24-19(13-2-3-13)22-18-11-17(7-8-21-18)27-16-6-5-12-1-4-14(20(25)23-26)9-15(12)10-16/h5-8,10-11,13-14,26H,1-4,9H2,(H,23,25)(H,21,22,24)/t14-/m0/s1.
What are the key properties of (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-N-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 56601558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).