5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile

C27H25N5O2 — CID 101177675

IUPAC5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1
InChIInChI=1S/C27H25N5O2/c1-33-19-9-5-17(6-10-19)21-15-23(18-7-11-20(34-2)12-8-18)30-25-22(16-28)27(31-26(29)24(21)25)32-13-3-4-14-32/h5-12,15H,3-4,13-14H2,1-2H3,(H2,29,31)
InChIKeyFPZYIUGKNOFIBP-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.04
Rot. Bonds5

About 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile

5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile (PubChem CID 101177675) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
PubChem CID101177675
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1
InChIInChI=1S/C27H25N5O2/c1-33-19-9-5-17(6-10-19)21-15-23(18-7-11-20(34-2)12-8-18)30-25-22(16-28)27(31-26(29)24(21)25)32-13-3-4-14-32/h5-12,15H,3-4,13-14H2,1-2H3,(H2,29,31)
InChIKeyFPZYIUGKNOFIBP-UHFFFAOYSA-N
XLogP5.04
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
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2-amino-6-(4-methoxyphenyl)-4-pyren-1-ylpyridine-3-carbonitrile
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2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
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2-amino-6-(4-methoxyphenyl)-4-(2,3,4,5,6-pentafluorophenyl)pyridine-3-carbonitrile
CID 3371344
2-amino-6-(4-methoxyphenyl)-4-(2,4,6-trimethoxyphenyl)pyridine-3-carbonitrile
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2-amino-4-(furan-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
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4,6-bis(4-methoxyphenyl)-2-phenylpyridine-3-carbonitrile
CID 12575125
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
2-amino-4-(4-methoxyphenyl)-5-methyl-6-piperidin-1-ylbenzene-1,3-dicarbonitrile
CID 44591730
2-amino-4-(3-fluorophenyl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile?
The IUPAC name of 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile (CID 101177675) is 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile.
What is the SMILES notation for 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile?
The canonical SMILES for 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile is COc1ccc(-c2cc(-c3ccc(OC)cc3)c3c(N)nc(N4CCCC4)c(C#N)c3n2)cc1.
What is the InChIKey of 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile?
The InChIKey is FPZYIUGKNOFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-33-19-9-5-17(6-10-19)21-15-23(18-7-11-20(34-2)12-8-18)30-25-22(16-28)27(31-26(29)24(21)25)32-13-3-4-14-32/h5-12,15H,3-4,13-14H2,1-2H3,(H2,29,31).
What are the key properties of 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile?
5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile has a molecular weight of 451.53 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile is sourced from PubChem (CID 101177675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).