5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide

C25H19N7O2 — CID 176565436

IUPAC5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
SMILESCNC(=O)c1cc(-c2cncc(-c3cc(NC(=O)c4cc(C#N)cnn4)ccc3C)c2)ccn1
InChIInChI=1S/C25H19N7O2/c1-15-3-4-20(31-25(34)23-7-16(11-26)12-30-32-23)10-21(15)19-8-18(13-28-14-19)17-5-6-29-22(9-17)24(33)27-2/h3-10,12-14H,1-2H3,(H,27,33)(H,31,34)
InChIKeyVAAOEQYOIVMUMR-UHFFFAOYSA-N
MW449.47 g/mol
LogP3.39
Rot. Bonds5

About 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide

5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide (PubChem CID 176565436) has the molecular formula C25H19N7O2 and a molecular weight of 449.47 g/mol. Its IUPAC name is 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
PubChem CID176565436
Molecular FormulaC25H19N7O2
Molecular Weight449.47 g/mol
Exact Mass449.16
IUPAC Name5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
SMILESCNC(=O)c1cc(-c2cncc(-c3cc(NC(=O)c4cc(C#N)cnn4)ccc3C)c2)ccn1
InChIInChI=1S/C25H19N7O2/c1-15-3-4-20(31-25(34)23-7-16(11-26)12-30-32-23)10-21(15)19-8-18(13-28-14-19)17-5-6-29-22(9-17)24(33)27-2/h3-10,12-14H,1-2H3,(H,27,33)(H,31,34)
InChIKeyVAAOEQYOIVMUMR-UHFFFAOYSA-N
XLogP3.39
TPSA133.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[3-amino-5-[2-(methylcarbamoyl)-4-pyridinyl]phenyl]-4-methylphenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176565448
4-(5-cyano-3-pyridinyl)-N-[3-(4-pentyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 166690926
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide
CID 168929427
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
CID 176572347
4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 168930705
1-methyl-3-(4-methyl-3-pyridin-4-ylphenyl)urea
CID 143942930
6-[5-(5-amino-2-methylphenyl)-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168928767
4-(2-cyanopropan-2-yl)-N-[3-[8-fluoro-7-(methylamino)-1,6-naphthyridin-3-yl]-4-methylphenyl]pyridine-2-carboxamide
CID 171520659
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide?
The IUPAC name of 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide (CID 176565436) is 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide is CNC(=O)c1cc(-c2cncc(-c3cc(NC(=O)c4cc(C#N)cnn4)ccc3C)c2)ccn1.
What is the InChIKey of 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide?
The InChIKey is VAAOEQYOIVMUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O2/c1-15-3-4-20(31-25(34)23-7-16(11-26)12-30-32-23)10-21(15)19-8-18(13-28-14-19)17-5-6-29-22(9-17)24(33)27-2/h3-10,12-14H,1-2H3,(H,27,33)(H,31,34).
What are the key properties of 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide?
5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 176565436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).