N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

C26H22N8O — CID 118946245

IUPACN-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2cnn(C)c2)c(C#N)c1
InChIInChI=1S/C26H22N8O/c1-16-22(19-7-18(10-27)24(31-11-19)20-12-32-34(4)14-20)9-21(13-30-16)33-25(35)17-5-6-29-23(8-17)26(2,3)15-28/h5-9,11-14H,1-4H3,(H,33,35)
InChIKeyTUPPOVQPBDMRLK-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.17
Rot. Bonds5

About N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (PubChem CID 118946245) has the molecular formula C26H22N8O and a molecular weight of 462.52 g/mol. Its IUPAC name is N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
PubChem CID118946245
Molecular FormulaC26H22N8O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC NameN-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2cnn(C)c2)c(C#N)c1
InChIInChI=1S/C26H22N8O/c1-16-22(19-7-18(10-27)24(31-11-19)20-12-32-34(4)14-20)9-21(13-30-16)33-25(35)17-5-6-29-23(8-17)26(2,3)15-28/h5-9,11-14H,1-4H3,(H,33,35)
InChIKeyTUPPOVQPBDMRLK-UHFFFAOYSA-N
XLogP4.17
TPSA133.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (CID 118946245) is N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cnc(-c2cnn(C)c2)c(C#N)c1.
What is the InChIKey of N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The InChIKey is TUPPOVQPBDMRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O/c1-16-22(19-7-18(10-27)24(31-11-19)20-12-32-34(4)14-20)9-21(13-30-16)33-25(35)17-5-6-29-23(8-17)26(2,3)15-28/h5-9,11-14H,1-4H3,(H,33,35).
What are the key properties of N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide has a molecular weight of 462.52 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-cyano-6-(1-methylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 118946245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).