2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile

C29H29N5O3 — CID 18886520

IUPAC2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
SMILESCc1ccccc1CN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c2ccccc21
InChIInChI=1S/C29H29N5O3/c1-18-9-5-6-10-20(18)17-34-23-12-8-7-11-21(23)29(28(34)36)22(16-30)26(31)37-24-15-19(2)33(14-13-32(3)4)27(35)25(24)29/h5-12,15H,13-14,17,31H2,1-4H3
InChIKeyYSEDOBHFEILKLA-UHFFFAOYSA-N
MW495.58 g/mol
LogP2.95
Rot. Bonds5

About 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile

2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile (PubChem CID 18886520) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
PubChem CID18886520
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Name2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile
SMILESCc1ccccc1CN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c2ccccc21
InChIInChI=1S/C29H29N5O3/c1-18-9-5-6-10-20(18)17-34-23-12-8-7-11-21(23)29(28(34)36)22(16-30)26(31)37-24-15-19(2)33(14-13-32(3)4)27(35)25(24)29/h5-12,15H,13-14,17,31H2,1-4H3
InChIKeyYSEDOBHFEILKLA-UHFFFAOYSA-N
XLogP2.95
TPSA104.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The IUPAC name of 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile (CID 18886520) is 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The canonical SMILES for 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile is Cc1ccccc1CN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c2ccccc21.
What is the InChIKey of 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
The InChIKey is YSEDOBHFEILKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-18-9-5-6-10-20(18)17-34-23-12-8-7-11-21(23)29(28(34)36)22(16-30)26(31)37-24-15-19(2)33(14-13-32(3)4)27(35)25(24)29/h5-12,15H,13-14,17,31H2,1-4H3.
What are the key properties of 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile?
2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile has a molecular weight of 495.58 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6'-[2-(dimethylamino)ethyl]-7'-methyl-1-[(2-methylphenyl)methyl]-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]pyridine]-3'-carbonitrile is sourced from PubChem (CID 18886520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).