N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide

C22H22FN5O3 — CID 66719963

IUPACN-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1)C(=O)C(N)=O
InChIInChI=1S/C22H22FN5O3/c1-2-3-6-18(19(29)20(24)30)26-22(31)16-5-4-12-25-21(16)28-13-11-17(27-28)14-7-9-15(23)10-8-14/h4-5,7-13,18H,2-3,6H2,1H3,(H2,24,30)(H,26,31)
InChIKeyKUOCSYGNCCTWEP-UHFFFAOYSA-N
MW423.45 g/mol
LogP2.42
Rot. Bonds9

About N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide

N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 66719963) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID66719963
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC NameN-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1)C(=O)C(N)=O
InChIInChI=1S/C22H22FN5O3/c1-2-3-6-18(19(29)20(24)30)26-22(31)16-5-4-12-25-21(16)28-13-11-17(27-28)14-7-9-15(23)10-8-14/h4-5,7-13,18H,2-3,6H2,1H3,(H2,24,30)(H,26,31)
InChIKeyKUOCSYGNCCTWEP-UHFFFAOYSA-N
XLogP2.42
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide (CID 66719963) is N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide is CCCCC(NC(=O)c1cccnc1-n1ccc(-c2ccc(F)cc2)n1)C(=O)C(N)=O.
What is the InChIKey of N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is KUOCSYGNCCTWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-2-3-6-18(19(29)20(24)30)26-22(31)16-5-4-12-25-21(16)28-13-11-17(27-28)14-7-9-15(23)10-8-14/h4-5,7-13,18H,2-3,6H2,1H3,(H2,24,30)(H,26,31).
What are the key properties of N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide?
N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 423.45 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1,2-dioxoheptan-3-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 66719963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).