6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide

C22H19N7O — CID 170000429

IUPAC6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC1C=C(c2nn(C)cc2NC(=O)c2cccc(-c3cncc(C#N)c3)n2)N=CC1
InChIInChI=1S/C22H19N7O/c1-14-6-7-25-19(8-14)21-20(13-29(2)28-21)27-22(30)18-5-3-4-17(26-18)16-9-15(10-23)11-24-12-16/h3-5,7-9,11-14H,6H2,1-2H3,(H,27,30)
InChIKeyVQQIMMPHLLWPFN-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.45
Rot. Bonds4

About 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide

6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 170000429) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID170000429
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC Name6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC1C=C(c2nn(C)cc2NC(=O)c2cccc(-c3cncc(C#N)c3)n2)N=CC1
InChIInChI=1S/C22H19N7O/c1-14-6-7-25-19(8-14)21-20(13-29(2)28-21)27-22(30)18-5-3-4-17(26-18)16-9-15(10-23)11-24-12-16/h3-5,7-9,11-14H,6H2,1-2H3,(H,27,30)
InChIKeyVQQIMMPHLLWPFN-UHFFFAOYSA-N
XLogP3.45
TPSA108.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide (CID 170000429) is 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide is CC1C=C(c2nn(C)cc2NC(=O)c2cccc(-c3cncc(C#N)c3)n2)N=CC1.
What is the InChIKey of 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is VQQIMMPHLLWPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-14-6-7-25-19(8-14)21-20(13-29(2)28-21)27-22(30)18-5-3-4-17(26-18)16-9-15(10-23)11-24-12-16/h3-5,7-9,11-14H,6H2,1-2H3,(H,27,30).
What are the key properties of 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide?
6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyano-3-pyridinyl)-N-[1-methyl-3-(4-methyl-3,4-dihydropyridin-6-yl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 170000429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).