N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide

C22H23N5O3 — CID 25157359

IUPACN-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1)C(=O)C(N)=O
InChIInChI=1S/C22H23N5O3/c1-2-3-11-18(19(28)20(23)29)26-22(30)17-10-7-12-24-21(17)27-14-16(13-25-27)15-8-5-4-6-9-15/h4-10,12-14,18H,2-3,11H2,1H3,(H2,23,29)(H,26,30)
InChIKeyFINKTORZTYDCIN-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.28
Rot. Bonds9

About N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide

N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 25157359) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID25157359
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCCCCC(NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1)C(=O)C(N)=O
InChIInChI=1S/C22H23N5O3/c1-2-3-11-18(19(28)20(23)29)26-22(30)17-10-7-12-24-21(17)27-14-16(13-25-27)15-8-5-4-6-9-15/h4-10,12-14,18H,2-3,11H2,1H3,(H2,23,29)(H,26,30)
InChIKeyFINKTORZTYDCIN-UHFFFAOYSA-N
XLogP2.28
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.28
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-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 25157359) is N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide is CCCCC(NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1)C(=O)C(N)=O.
What is the InChIKey of N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is FINKTORZTYDCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-2-3-11-18(19(28)20(23)29)26-22(30)17-10-7-12-24-21(17)27-14-16(13-25-27)15-8-5-4-6-9-15/h4-10,12-14,18H,2-3,11H2,1H3,(H2,23,29)(H,26,30).
What are the key properties of N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide?
N-(1-amino-1,2-dioxoheptan-3-yl)-2-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.28, 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-(4-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 25157359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).