2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile

C29H25N7O — CID 14936511

IUPAC2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
SMILESCCOc1nc2nc3ccnc(N4CCN(c5ccccn5)CC4)c3cc2c(-c2ccccc2)c1C#N
InChIInChI=1S/C29H25N7O/c1-2-37-29-23(19-30)26(20-8-4-3-5-9-20)22-18-21-24(33-27(22)34-29)11-13-32-28(21)36-16-14-35(15-17-36)25-10-6-7-12-31-25/h3-13,18H,2,14-17H2,1H3
InChIKeyXAUABCZLIUIQGY-UHFFFAOYSA-N
MW487.57 g/mol
LogP4.84
Rot. Bonds5

About 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile

2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile (PubChem CID 14936511) has the molecular formula C29H25N7O and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
PubChem CID14936511
Molecular FormulaC29H25N7O
Molecular Weight487.57 g/mol
Exact Mass487.21
IUPAC Name2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile
SMILESCCOc1nc2nc3ccnc(N4CCN(c5ccccn5)CC4)c3cc2c(-c2ccccc2)c1C#N
InChIInChI=1S/C29H25N7O/c1-2-37-29-23(19-30)26(20-8-4-3-5-9-20)22-18-21-24(33-27(22)34-29)11-13-32-28(21)36-16-14-35(15-17-36)25-10-6-7-12-31-25/h3-13,18H,2,14-17H2,1H3
InChIKeyXAUABCZLIUIQGY-UHFFFAOYSA-N
XLogP4.84
TPSA91.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-7-ethoxy-5-phenyl-4-piperidin-1-ylpyrido[2,3-d]pyrimidine-6-carbonitrile
CID 171988953
6-cyano-7-ethoxy-2-methyl-5-phenyl-1,8-naphthyridine-3-carboxamide
CID 15189178
2-ethoxy-4-phenyl-7-[(E)-2-phenylethenyl]-1,8-naphthyridine-3-carbonitrile
CID 15191501
4-ethoxy-2-methyl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
CID 22003964
8-phenyl-2-propyl-6-(4-pyridin-2-ylpiperazin-1-yl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 11048406
2-amino-4-ethoxy-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidine-5-carbonitrile
CID 22004005
2-ethoxy-4-(triazol-1-yl)quinoline-3-carbonitrile
CID 70227232
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991
6-(4-bromophenyl)-2-ethoxy-4-phenylpyridine-3-carbonitrile
CID 3112245
(6aR,8S)-8-tert-butyl-2-ethoxy-4-phenyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a][1,8]naphthyridine-3,6,6-tricarbonitrile
CID 10939085
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
2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
CID 22692821

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile (CID 14936511) is 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile is CCOc1nc2nc3ccnc(N4CCN(c5ccccn5)CC4)c3cc2c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
The InChIKey is XAUABCZLIUIQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N7O/c1-2-37-29-23(19-30)26(20-8-4-3-5-9-20)22-18-21-24(33-27(22)34-29)11-13-32-28(21)36-16-14-35(15-17-36)25-10-6-7-12-31-25/h3-13,18H,2,14-17H2,1H3.
What are the key properties of 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile?
2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile has a molecular weight of 487.57 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-phenyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrido[4,3-b][1,8]naphthyridine-3-carbonitrile is sourced from PubChem (CID 14936511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).