N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide

C16H15N3O2 — CID 87266102

IUPACN-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCc1ccc(Cn2ccc3cnc(C(=O)NO)cc32)cc1
InChIInChI=1S/C16H15N3O2/c1-11-2-4-12(5-3-11)10-19-7-6-13-9-17-14(8-15(13)19)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20)
InChIKeyPKPDZWJAYIIWMD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.51
Rot. Bonds3

About N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide

N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 87266102) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID87266102
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESCc1ccc(Cn2ccc3cnc(C(=O)NO)cc32)cc1
InChIInChI=1S/C16H15N3O2/c1-11-2-4-12(5-3-11)10-19-7-6-13-9-17-14(8-15(13)19)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20)
InChIKeyPKPDZWJAYIIWMD-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266028
1-[(2-chlorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
CID 87265967
1-[(2-fluorophenyl)methyl]-N-hydroxypyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266262
N-hydroxy-1-(2-phenoxyethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 87266323
N-hydroxy-1-[[4-(hydroxycarbamoyl)phenyl]methyl]indole-6-carboxamide
CID 146035570
1-[(3-cyanophenyl)methyl]-N-hydroxypyrrolo[2,3-c]pyridine-5-carboxamide
CID 44549519
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893
N-hydroxy-1-[(6-methoxy-3-pyridinyl)methyl]indole-6-carboxamide
CID 45276554
N-hydroxy-3-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
CID 87265938
2-[4-[(6-methylindol-1-yl)methyl]phenyl]acetic acid
CID 105345354
N-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
CID 87266024
methyl 1-[(4-fluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate
CID 44549659

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide (CID 87266102) is N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide is Cc1ccc(Cn2ccc3cnc(C(=O)NO)cc32)cc1.
What is the InChIKey of N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is PKPDZWJAYIIWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-2-4-12(5-3-11)10-19-7-6-13-9-17-14(8-15(13)19)16(20)18-21/h2-9,21H,10H2,1H3,(H,18,20).
What are the key properties of N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide?
N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[(4-methylphenyl)methyl]pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 87266102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).