2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile

C23H26N6O — CID 171988953

IUPAC2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCOc1nc2nc(N(C)C)nc(N3CCCCC3)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C23H26N6O/c1-4-30-22-17(15-24)18(16-11-7-5-8-12-16)19-20(25-22)26-23(28(2)3)27-21(19)29-13-9-6-10-14-29/h5,7-8,11-12H,4,6,9-10,13-14H2,1-3H3
InChIKeyHFVNDLRIHALCLK-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.02
Rot. Bonds5

About 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile

2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 171988953) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID171988953
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCCOc1nc2nc(N(C)C)nc(N3CCCCC3)c2c(-c2ccccc2)c1C#N
InChIInChI=1S/C23H26N6O/c1-4-30-22-17(15-24)18(16-11-7-5-8-12-16)19-20(25-22)26-23(28(2)3)27-21(19)29-13-9-6-10-14-29/h5,7-8,11-12H,4,6,9-10,13-14H2,1-3H3
InChIKeyHFVNDLRIHALCLK-UHFFFAOYSA-N
XLogP4.02
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-benzylpiperazin-1-yl)-2-(dimethylamino)-7-ethoxy-5-phenylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988952
2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
CID 14936511
3-amino-6-ethoxy-4-phenyl-1H-pyrrolo[2,3-b]pyridine-2,5-dicarbonitrile
CID 86291562
2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile
CID 15191501
5,6-diphenyl-3-piperidin-1-ylpyridazine-4-carbonitrile
CID 6403511
4-ethoxy-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
CID 22003964
2-ethoxy-6-oxo-4-phenylindeno[1,2-b][1,8]naphthyridine-3-carbonitrile
CID 15261533
6-cyano-7-ethoxy-2-methyl-5-phenyl-1,8-naphthyridine-3-carboxamide
CID 15189178
2-amino-4-ethoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
CID 22004005
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
6-(4-benzylpiperazin-1-yl)-11-ethoxy-4-(2-nitrophenyl)-13-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbonitrile
CID 10031911
ethyl 2-amino-6-cyano-7-ethoxy-5-phenyl-1,8-naphthyridine-3-carboxylate
CID 15189182

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile (CID 171988953) is 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile is CCOc1nc2nc(N(C)C)nc(N3CCCCC3)c2c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is HFVNDLRIHALCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-4-30-22-17(15-24)18(16-11-7-5-8-12-16)19-20(25-22)26-23(28(2)3)27-21(19)29-13-9-6-10-14-29/h5,7-8,11-12H,4,6,9-10,13-14H2,1-3H3.
What are the key properties of 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile?
2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 402.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 171988953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).