N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide

C19H19FN4O3 — CID 109096898

IUPACN-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)NCc3ccccc3F)n2)CC1
InChIInChI=1S/C19H19FN4O3/c20-15-5-2-1-4-14(15)12-21-18(26)16-6-3-7-17(22-16)19(27)24-10-8-23(13-25)9-11-24/h1-7,13H,8-12H2,(H,21,26)
InChIKeyHCWVVTATKQAKJF-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.06
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109096898) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109096898
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)NCc3ccccc3F)n2)CC1
InChIInChI=1S/C19H19FN4O3/c20-15-5-2-1-4-14(15)12-21-18(26)16-6-3-7-17(22-16)19(27)24-10-8-23(13-25)9-11-24/h1-7,13H,8-12H2,(H,21,26)
InChIKeyHCWVVTATKQAKJF-UHFFFAOYSA-N
XLogP1.06
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094778
6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109096906
6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109094399
6-fluoro-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 115496596
N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096948
2-(2-fluorophenyl)-N-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 112991834
6-N-butan-2-yl-2-N-[(2-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109094593
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109084859
N-[(2-methylphenyl)methyl]-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095422
4-[2-(2-fluoroanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302910
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789
6-(4-acetylpiperazine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109097000

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109096898) is N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is O=CN1CCN(C(=O)c2cccc(C(=O)NCc3ccccc3F)n2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is HCWVVTATKQAKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-15-5-2-1-4-14(15)12-21-18(26)16-6-3-7-17(22-16)19(27)24-10-8-23(13-25)9-11-24/h1-7,13H,8-12H2,(H,21,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).