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

C14H12N4O2 — CID 87266028

IUPACN-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NO)c1cc2c(ccn2Cc2ccncc2)cn1
InChIInChI=1S/C14H12N4O2/c19-14(17-20)12-7-13-11(8-16-12)3-6-18(13)9-10-1-4-15-5-2-10/h1-8,20H,9H2,(H,17,19)
InChIKeyAOAACWCOKUNDMH-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.60
Rot. Bonds3

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

N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide (PubChem CID 87266028) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
PubChem CID87266028
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NO)c1cc2c(ccn2Cc2ccncc2)cn1
InChIInChI=1S/C14H12N4O2/c19-14(17-20)12-7-13-11(8-16-12)3-6-18(13)9-10-1-4-15-5-2-10/h1-8,20H,9H2,(H,17,19)
InChIKeyAOAACWCOKUNDMH-UHFFFAOYSA-N
XLogP1.60
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
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 N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide (CID 87266028) is N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide is O=C(NO)c1cc2c(ccn2Cc2ccncc2)cn1.
What is the InChIKey of N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide?
The InChIKey is AOAACWCOKUNDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-14(17-20)12-7-13-11(8-16-12)3-6-18(13)9-10-1-4-15-5-2-10/h1-8,20H,9H2,(H,17,19).
What are the key properties of N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide?
N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(pyridin-4-ylmethyl)pyrrolo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 87266028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).