CID 156802014

C17H19AlN4O2 — CID 156802014

IUPAC—
SMILESCC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)CC[C@H]1O[Al]
InChIInChI=1S/C17H19N4O2.Al/c1-3-11-10-21(7-6-15(11)22)14-8-16(23)20(2)13-5-4-12(9-18)19-17(13)14;/h4-5,8,11,15H,3,6-7,10H2,1-2H3;/q-1;+1/t11-,15-;/m1./s1
InChIKeyZTBLPJPQSQKZKN-GPKQSYPGSA-N
MW338.35 g/mol
LogP1.51
Rot. Bonds3

About CID 156802014

CID 156802014 (PubChem CID 156802014) has the molecular formula C17H19AlN4O2 and a molecular weight of 338.35 g/mol.

Molecular Properties

Compound NameCID 156802014
PubChem CID156802014
Molecular FormulaC17H19AlN4O2
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name—
SMILESCC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)CC[C@H]1O[Al]
InChIInChI=1S/C17H19N4O2.Al/c1-3-11-10-21(7-6-15(11)22)14-8-16(23)20(2)13-5-4-12(9-18)19-17(13)14;/h4-5,8,11,15H,3,6-7,10H2,1-2H3;/q-1;+1/t11-,15-;/m1./s1
InChIKeyZTBLPJPQSQKZKN-GPKQSYPGSA-N
XLogP1.51
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[(3S,4S)-3-ethyl-4-(3-propan-2-ylphenoxy)piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904277
8-[(3S,4S)-3-ethyl-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904280
8-[(4S)-3-ethyl-4-[(5-propan-2-yloxy-2-pyridinyl)oxy]piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904324
5-methyl-8-[3-methyl-4-(4-methylphenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904266
5-methyl-8-(3-methylpiperidin-1-yl)-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156556127
8-[(3S,4R)-3-ethoxy-4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156527494
5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904275
8-[(2R,4S,5R)-5-ethyl-4-hydroxy-2-methylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 156527031
5-methyl-8-[(4S)-3-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904334
8-[(2S)-2-ethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146529846
8-[(3aS,4S,6aS)-5-[(4-fluorophenyl)methyl]-4-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169123060
8-[4-[bis(4-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466746

Frequently Asked Questions

What is the IUPAC name of CID 156802014?
The IUPAC name of CID 156802014 (CID 156802014) is not available.
What is the SMILES notation for CID 156802014?
The canonical SMILES for CID 156802014 is CC[C@@H]1CN(c2cc(=O)n(C)c3ccc(C#N)nc23)CC[C@H]1O[Al].
What is the InChIKey of CID 156802014?
The InChIKey is ZTBLPJPQSQKZKN-GPKQSYPGSA-N. The full InChI is InChI=1S/C17H19N4O2.Al/c1-3-11-10-21(7-6-15(11)22)14-8-16(23)20(2)13-5-4-12(9-18)19-17(13)14;/h4-5,8,11,15H,3,6-7,10H2,1-2H3;/q-1;+1/t11-,15-;/m1./s1.
What are the key properties of CID 156802014?
CID 156802014 has a molecular weight of 338.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156802014 is sourced from PubChem (CID 156802014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).