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

C25H24N6O3 — CID 134450226

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(OC4CCOCC4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C25H24N6O3/c1-31-16-23(24(30-31)21-5-2-3-10-27-21)29-25(32)22-7-4-6-20(28-22)17-13-19(15-26-14-17)34-18-8-11-33-12-9-18/h2-7,10,13-16,18H,8-9,11-12H2,1H3,(H,29,32)
InChIKeyZVDUZAXLVFBSHL-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.75
Rot. Bonds6

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

N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 134450226) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID134450226
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(OC4CCOCC4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C25H24N6O3/c1-31-16-23(24(30-31)21-5-2-3-10-27-21)29-25(32)22-7-4-6-20(28-22)17-13-19(15-26-14-17)34-18-8-11-33-12-9-18/h2-7,10,13-16,18H,8-9,11-12H2,1H3,(H,29,32)
InChIKeyZVDUZAXLVFBSHL-UHFFFAOYSA-N
XLogP3.75
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(3-methoxycyclobutyl)-3-pyridin-2-ylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 134450331
6-bromo-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450198
6-[3-(methanesulfonamido)phenyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
CID 134450248
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-3-morpholin-4-yl-6-pyridin-3-ylpyridine-2-carboxamide
CID 175396874
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 134450354
6-[2-(ethylamino)-4-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;formic acid;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-(1H-pyrazol-4-yl)pyridine-2-carboxamide;6-(5-methyl-3-pyridinyl)-N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide;N-[1-(oxan-4-yl)-3-pyridin-2-ylpyrazol-4-yl]-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 158136871
N-[1-methyl-3-[5-[[4-[[6-(3-methylphenyl)pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]-2-pyridinyl]pyrazol-4-yl]-6-phenylpyridine-2-carboxamide
CID 134453104
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(1,2,3,6-tetrahydropyridin-5-yl)pyridine-2-carboxamide
CID 134452889
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
CID 134450315
N-[3-[5-(2-hydroxy-2-methylpropoxy)-2-pyridinyl]-1-methylpyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;N-[1-methyl-3-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide;N-[1-methyl-3-(5-morpholin-4-yl-2-pyridinyl)pyrazol-4-yl]-6-(5-methyl-3-pyridinyl)pyridine-2-carboxamide;tetrahydrochloride
CID 158787578
6-(furan-3-yl)-N-[1-[2-(2-methoxyethoxy)ethyl]-3-pyridin-2-ylpyrazol-4-yl]pyridine-2-carboxamide
CID 134450325
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 134450290

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide (CID 134450226) is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cncc(OC4CCOCC4)c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ZVDUZAXLVFBSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-31-16-23(24(30-31)21-5-2-3-10-27-21)29-25(32)22-7-4-6-20(28-22)17-13-19(15-26-14-17)34-18-8-11-33-12-9-18/h2-7,10,13-16,18H,8-9,11-12H2,1H3,(H,29,32).
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(oxan-4-yloxy)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 134450226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).