N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide

C25H24N6O2 — CID 134450331

IUPACN-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOC1CC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3ccccn3)n2)C1
InChIInChI=1S/C25H24N6O2/c1-16-10-17(14-26-13-16)20-7-5-8-22(28-20)25(32)29-23-15-31(18-11-19(12-18)33-2)30-24(23)21-6-3-4-9-27-21/h3-10,13-15,18-19H,11-12H2,1-2H3,(H,29,32)
InChIKeyKKRQEHOOKMNSKE-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.31
Rot. Bonds6

About N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide

N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 134450331) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID134450331
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOC1CC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3ccccn3)n2)C1
InChIInChI=1S/C25H24N6O2/c1-16-10-17(14-26-13-16)20-7-5-8-22(28-20)25(32)29-23-15-31(18-11-19(12-18)33-2)30-24(23)21-6-3-4-9-27-21/h3-10,13-15,18-19H,11-12H2,1-2H3,(H,29,32)
InChIKeyKKRQEHOOKMNSKE-UHFFFAOYSA-N
XLogP4.31
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide (CID 134450331) is N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide is COC1CC(n2cc(NC(=O)c3cccc(-c4cncc(C)c4)n3)c(-c3ccccn3)n2)C1.
What is the InChIKey of N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is KKRQEHOOKMNSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-16-10-17(14-26-13-16)20-7-5-8-22(28-20)25(32)29-23-15-31(18-11-19(12-18)33-2)30-24(23)21-6-3-4-9-27-21/h3-10,13-15,18-19H,11-12H2,1-2H3,(H,29,32).
What are the key properties of N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide?
N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 134450331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).