1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide

C18H18FN3O2 — CID 11558926

IUPAC1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCCCN(C(=O)C1=NC=C2C(=C1)C=CN2CC3=CC=C(C=C3)F)O
InChIInChI=1S/C18H18FN3O2/c1-2-8-22(24)18(23)16-10-14-7-9-21(17(14)11-20-16)12-13-3-5-15(19)6-4-13/h3-7,9-11,24H,2,8,12H2,1H3
InChIKeyDDPNLUCBQHSHLI-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.80
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide

1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 11558926) has the molecular formula C18H18FN3O2 and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propylpyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID11558926
Molecular FormulaC18H18FN3O2
Molecular Weight327.40 g/mol
Exact Mass327.14
IUPAC Name1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propylpyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCCCN(C(=O)C1=NC=C2C(=C1)C=CN2CC3=CC=C(C=C3)F)O
InChIInChI=1S/C18H18FN3O2/c1-2-8-22(24)18(23)16-10-14-7-9-21(17(14)11-20-16)12-13-3-5-15(19)6-4-13/h3-7,9-11,24H,2,8,12H2,1H3
InChIKeyDDPNLUCBQHSHLI-UHFFFAOYSA-N
XLogP2.80
TPSA58.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity428

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
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

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CID 9828698
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CID 9914912
Indole-based 6-membered lactam, 4d
CID 44143549
3-[(4-Fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
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1-[(2,4-Difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid
CID 9948363
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[(3-oxo-1-piperazinyl)methyl]-
CID 11683012
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11717135
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 15957047
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[[(tetrahydro-2h-pyran-4-yl)oxy]methyl]-
CID 15957083
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,3-[(2-ethoxyethoxy)methyl]-1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-
CID 15957085
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-3-(methoxymethyl)-n-methyl-
CID 15957087
9-(4-Fluorobenzyl)-N-Hydroxy-9h-Beta-Carboline-3-Carboxamide
CID 3013459

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide (CID 11558926) is 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propylpyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide is CCCN(C(=O)C1=NC=C2C(=C1)C=CN2CC3=CC=C(C=C3)F)O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is DDPNLUCBQHSHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-2-8-22(24)18(23)16-10-14-7-9-21(17(14)11-20-16)12-13-3-5-15(19)6-4-13/h3-7,9-11,24H,2,8,12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 11558926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).