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

C21H21N5O3 — CID 56932799

IUPACN-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1ccc(-c2ccnc(NC3CCc4ccc(C(=O)NO)cc4C3)n2)cn1
InChIInChI=1S/C21H21N5O3/c1-29-19-7-5-15(12-23-19)18-8-9-22-21(25-18)24-17-6-4-13-2-3-14(20(27)26-28)10-16(13)11-17/h2-3,5,7-10,12,17,28H,4,6,11H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyXBPKXYJTMFTGFV-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.64
Rot. Bonds5

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

N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 56932799) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID56932799
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCOc1ccc(-c2ccnc(NC3CCc4ccc(C(=O)NO)cc4C3)n2)cn1
InChIInChI=1S/C21H21N5O3/c1-29-19-7-5-15(12-23-19)18-8-9-22-21(25-18)24-17-6-4-13-2-3-14(20(27)26-28)10-16(13)11-17/h2-3,5,7-10,12,17,28H,4,6,11H2,1H3,(H,26,27)(H,22,24,25)
InChIKeyXBPKXYJTMFTGFV-UHFFFAOYSA-N
XLogP2.64
TPSA109.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 56932799) is N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is COc1ccc(-c2ccnc(NC3CCc4ccc(C(=O)NO)cc4C3)n2)cn1.
What is the InChIKey of N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is XBPKXYJTMFTGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-29-19-7-5-15(12-23-19)18-8-9-22-21(25-18)24-17-6-4-13-2-3-14(20(27)26-28)10-16(13)11-17/h2-3,5,7-10,12,17,28H,4,6,11H2,1H3,(H,26,27)(H,22,24,25).
What are the key properties of N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[[4-(6-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 56932799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).