(E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide

C16H18N6O2 — CID 135985929

IUPAC(E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide
SMILESCCCn1c(Cn2cc(/C=C/C(=O)NO)nn2)cc2ccncc21
InChIInChI=1S/C16H18N6O2/c1-2-7-22-14(8-12-5-6-17-9-15(12)22)11-21-10-13(18-20-21)3-4-16(23)19-24/h3-6,8-10,24H,2,7,11H2,1H3,(H,19,23)/b4-3+
InChIKeyZPPFXFFCGZILMP-ONEGZZNKSA-N
MW326.36 g/mol
LogP1.60
Rot. Bonds6

About (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide

(E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide (PubChem CID 135985929) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide
PubChem CID135985929
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name(E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide
SMILESCCCn1c(Cn2cc(/C=C/C(=O)NO)nn2)cc2ccncc21
InChIInChI=1S/C16H18N6O2/c1-2-7-22-14(8-12-5-6-17-9-15(12)22)11-21-10-13(18-20-21)3-4-16(23)19-24/h3-6,8-10,24H,2,7,11H2,1H3,(H,19,23)/b4-3+
InChIKeyZPPFXFFCGZILMP-ONEGZZNKSA-N
XLogP1.60
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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 (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide (CID 135985929) is (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide is CCCn1c(Cn2cc(/C=C/C(=O)NO)nn2)cc2ccncc21.
What is the InChIKey of (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide?
The InChIKey is ZPPFXFFCGZILMP-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-2-7-22-14(8-12-5-6-17-9-15(12)22)11-21-10-13(18-20-21)3-4-16(23)19-24/h3-6,8-10,24H,2,7,11H2,1H3,(H,19,23)/b4-3+.
What are the key properties of (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide?
(E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide has a molecular weight of 326.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[1-[(1-propylpyrrolo[2,3-c]pyridin-2-yl)methyl]triazol-4-yl]prop-2-enamide is sourced from PubChem (CID 135985929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).