N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

C26H22N6O4 — CID 141244777

IUPACN-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)C1(C(Cc2cccnc2)NC(=O)c2cccnc2-n2ccc(-c3ccccc3)n2)OC=CO1
InChIInChI=1S/C26H22N6O4/c27-25(34)26(35-14-15-36-26)22(16-18-6-4-11-28-17-18)30-24(33)20-9-5-12-29-23(20)32-13-10-21(31-32)19-7-2-1-3-8-19/h1-15,17,22H,16H2,(H2,27,34)(H,30,33)
InChIKeyXLSJROXFJRAOLL-UHFFFAOYSA-N
MW482.50 g/mol
LogP2.37
Rot. Bonds8

About N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 141244777) has the molecular formula C26H22N6O4 and a molecular weight of 482.50 g/mol. Its IUPAC name is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID141244777
Molecular FormulaC26H22N6O4
Molecular Weight482.50 g/mol
Exact Mass482.17
IUPAC NameN-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
SMILESNC(=O)C1(C(Cc2cccnc2)NC(=O)c2cccnc2-n2ccc(-c3ccccc3)n2)OC=CO1
InChIInChI=1S/C26H22N6O4/c27-25(34)26(35-14-15-36-26)22(16-18-6-4-11-28-17-18)30-24(33)20-9-5-12-29-23(20)32-13-10-21(31-32)19-7-2-1-3-8-19/h1-15,17,22H,16H2,(H2,27,34)(H,30,33)
InChIKeyXLSJROXFJRAOLL-UHFFFAOYSA-N
XLogP2.37
TPSA134.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 141244777) is N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is NC(=O)C1(C(Cc2cccnc2)NC(=O)c2cccnc2-n2ccc(-c3ccccc3)n2)OC=CO1.
What is the InChIKey of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is XLSJROXFJRAOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O4/c27-25(34)26(35-14-15-36-26)22(16-18-6-4-11-28-17-18)30-24(33)20-9-5-12-29-23(20)32-13-10-21(31-32)19-7-2-1-3-8-19/h1-15,17,22H,16H2,(H2,27,34)(H,30,33).
What are the key properties of N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?
N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 482.50 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-carbamoyl-1,3-dioxol-2-yl)-2-pyridin-3-ylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 141244777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).