3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile

C23H19N5 — CID 151769450

IUPAC3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile
SMILESCc1nc(-c2cccc(C#N)c2)nc2nc(-c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C23H19N5/c1-15-20-11-12-21(17-7-9-19(10-8-17)28(2)3)26-23(20)27-22(25-15)18-6-4-5-16(13-18)14-24/h4-13H,1-3H3
InChIKeyRSGYMJNIGSTHMG-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.60
Rot. Bonds3

About 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile

3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile (PubChem CID 151769450) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile
PubChem CID151769450
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile
SMILESCc1nc(-c2cccc(C#N)c2)nc2nc(-c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C23H19N5/c1-15-20-11-12-21(17-7-9-19(10-8-17)28(2)3)26-23(20)27-22(25-15)18-6-4-5-16(13-18)14-24/h4-13H,1-3H3
InChIKeyRSGYMJNIGSTHMG-UHFFFAOYSA-N
XLogP4.60
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile
CID 15133245
3-[6-(4-cyanophenyl)-2-pyridinyl]benzonitrile
CID 10016570
3-[6-[4-[3,6-bis(N-(4-cyanophenyl)anilino)carbazol-9-yl]phenyl]-2-(3-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 126734443
3-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317940
3-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]fluoranthen-3-yl]benzonitrile
CID 165376222
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 176848065
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile
CID 134317886
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292
3-[7-(3-cyanophenyl)-9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421194
3-(3-methyl-4-propan-2-ylphenyl)benzonitrile
CID 156559237
3-(2-methyl-6-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 56715776
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 134317879

Frequently Asked Questions

What is the IUPAC name of 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile?
The IUPAC name of 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile (CID 151769450) is 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile is Cc1nc(-c2cccc(C#N)c2)nc2nc(-c3ccc(N(C)C)cc3)ccc12.
What is the InChIKey of 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile?
The InChIKey is RSGYMJNIGSTHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-15-20-11-12-21(17-7-9-19(10-8-17)28(2)3)26-23(20)27-22(25-15)18-6-4-5-16(13-18)14-24/h4-13H,1-3H3.
What are the key properties of 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile?
3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile has a molecular weight of 365.44 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[4-(dimethylamino)phenyl]-4-methylpyrido[2,3-d]pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 151769450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).