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

C23H21N7O — CID 134450216

IUPAC6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(NC4CC4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C23H21N7O/c1-30-14-21(22(29-30)19-5-2-3-10-25-19)28-23(31)20-7-4-6-18(27-20)15-11-17(13-24-12-15)26-16-8-9-16/h2-7,10-14,16,26H,8-9H2,1H3,(H,28,31)
InChIKeyOILCSRYERXEJDA-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.77
Rot. Bonds6

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

6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 134450216) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
PubChem CID134450216
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(NC4CC4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C23H21N7O/c1-30-14-21(22(29-30)19-5-2-3-10-25-19)28-23(31)20-7-4-6-18(27-20)15-11-17(13-24-12-15)26-16-8-9-16/h2-7,10-14,16,26H,8-9H2,1H3,(H,28,31)
InChIKeyOILCSRYERXEJDA-UHFFFAOYSA-N
XLogP3.77
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide (CID 134450216) is 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cncc(NC4CC4)c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is OILCSRYERXEJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-30-14-21(22(29-30)19-5-2-3-10-25-19)28-23(31)20-7-4-6-18(27-20)15-11-17(13-24-12-15)26-16-8-9-16/h2-7,10-14,16,26H,8-9H2,1H3,(H,28,31).
What are the key properties of 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(cyclopropylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134450216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).