N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide

C22H19N5O3 — CID 122550155

IUPACN-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
SMILESCc1nc(N(C)c2ccc(Oc3ccc(C(=O)NO)nc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H19N5O3/c1-14-24-19-6-4-3-5-18(19)21(25-14)27(2)15-7-9-16(10-8-15)30-17-11-12-20(23-13-17)22(28)26-29/h3-13,29H,1-2H3,(H,26,28)
InChIKeyWDXBCTFXWUUSBG-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.01
Rot. Bonds5

About N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide

N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide (PubChem CID 122550155) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
PubChem CID122550155
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide
SMILESCc1nc(N(C)c2ccc(Oc3ccc(C(=O)NO)nc3)cc2)c2ccccc2n1
InChIInChI=1S/C22H19N5O3/c1-14-24-19-6-4-3-5-18(19)21(25-14)27(2)15-7-9-16(10-8-15)30-17-11-12-20(23-13-17)22(28)26-29/h3-13,29H,1-2H3,(H,26,28)
InChIKeyWDXBCTFXWUUSBG-UHFFFAOYSA-N
XLogP4.01
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
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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Related Compounds

N-hydroxy-2-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]acetamide
CID 122550234
N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
CID 122550258
N-methyl-N-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]acetamide
CID 11638343
5-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]-N-nitrosopyrimidine-2-carboxamide
CID 122550144
2-chloro-N-methyl-N-(4-phenoxyphenyl)quinazolin-4-amine
CID 11325910
N-[3-[(6-ethenyl-3-pyridinyl)oxy]phenyl]-N,2-dimethylquinazolin-4-amine
CID 134186531
N-methyl-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-3-carboxamide
CID 134186537
methyl N-[[4-[methyl-(2-methylquinazolin-4-yl)amino]phenyl]carbamoylamino]carbamate
CID 59242074
N,2-dimethyl-N-(4-nitrophenyl)quinazolin-4-amine
CID 11150552
methyl 2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyrimidine-5-carboxylate
CID 122550270
N-hydroxy-2-[2-methoxy-5-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]butanamide
CID 140857190
methyl 3-[4-(4-methoxy-N-methylanilino)quinazolin-2-yl]oxypropanoate
CID 71063625

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide (CID 122550155) is N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide is Cc1nc(N(C)c2ccc(Oc3ccc(C(=O)NO)nc3)cc2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide?
The InChIKey is WDXBCTFXWUUSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-14-24-19-6-4-3-5-18(19)21(25-14)27(2)15-7-9-16(10-8-15)30-17-11-12-20(23-13-17)22(28)26-29/h3-13,29H,1-2H3,(H,26,28).
What are the key properties of N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide?
N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[4-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 122550155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).