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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Related Compounds

N-hydroxy-4-[(1H-indol-1-yl)methyl]benzamide
CID 60164937
3-[(4-Fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 11716564
N-hydroxy-4-[[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]benzamide
CID 50898755
10-Amino-2-methyl-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(12),3,5,7,9-pentaen-11-one
CID 10012994
1-[(2,4-Difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid
CID 9948363
1-(4-Fluorobenzyl)-N-hydroxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 10040375
1-(4-fluorobenzyl)-N-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 10062469
1-(2,4-Difluorobenzyl)-N-hydroxy-N-methyl-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 10064390
1-(2,4-Difluorobenzyl)-N-methoxy-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 10381105
N-Benzyl-1-(4-fluorobenzyl)-N-hydroxy-1H-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 10452086
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11558926
3-[[(2S)-2-carbamoylpyrrolidin-1-yl]methyl]-1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11647548

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).