N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide

C20H19N3O2 — CID 89024375

IUPACN-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide
SMILESCCn1c(C#Cc2cccc(NC=O)c2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C20H19N3O2/c1-3-23-18(10-7-14-5-4-6-15(11-14)22-13-24)20(21)17-9-8-16(25-2)12-19(17)23/h4-6,8-9,11-13H,3,21H2,1-2H3,(H,22,24)
InChIKeyDMLUNYFFFIJWCQ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.22
Rot. Bonds4

About N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide

N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide (PubChem CID 89024375) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide.

Molecular Properties

Compound NameN-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide
PubChem CID89024375
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide
SMILESCCn1c(C#Cc2cccc(NC=O)c2)c(N)c2ccc(OC)cc21
InChIInChI=1S/C20H19N3O2/c1-3-23-18(10-7-14-5-4-6-15(11-14)22-13-24)20(21)17-9-8-16(25-2)12-19(17)23/h4-6,8-9,11-13H,3,21H2,1-2H3,(H,22,24)
InChIKeyDMLUNYFFFIJWCQ-UHFFFAOYSA-N
XLogP3.22
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-6-methoxy-2-[2-(4-methoxyphenyl)ethynyl]indol-3-amine
CID 70844613
1-(2-chloroethyl)-3-[3-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]urea
CID 58694440
N-[4-[2-(3-amino-1-ethyl-5-methoxyindol-2-yl)ethynyl]phenyl]acetamide
CID 70844321
1-ethyl-6-methoxy-2-[2-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]ethynyl]indole-3-carbonitrile
CID 143184280
prop-2-enyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024519
N-[4-[2-(3-cyano-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]-2-methoxyacetamide
CID 58693969
propyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 70844655
3-amino-2-[3-(diethylsulfamoylamino)phenyl]-1-ethyl-6-methoxyindole
CID 70844186
2-amino-1-ethyl-6-methoxyindole-3-carbonitrile
CID 90970598
phenyl N-[3-(3-amino-1-ethyl-6-methoxyindol-2-yl)phenyl]carbamate
CID 89024512
1-ethyl-6-methoxy-2-[2-(2-methylphenyl)ethynyl]indole-3-carbonitrile
CID 58694494
2-[2-(4-fluorophenyl)ethynyl]-6-methoxy-1-methylindol-3-amine
CID 70844327

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide?
The IUPAC name of N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide (CID 89024375) is N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide.
What is the SMILES notation for N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide?
The canonical SMILES for N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide is CCn1c(C#Cc2cccc(NC=O)c2)c(N)c2ccc(OC)cc21.
What is the InChIKey of N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide?
The InChIKey is DMLUNYFFFIJWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-3-23-18(10-7-14-5-4-6-15(11-14)22-13-24)20(21)17-9-8-16(25-2)12-19(17)23/h4-6,8-9,11-13H,3,21H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide?
N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide has a molecular weight of 333.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-amino-1-ethyl-6-methoxyindol-2-yl)ethynyl]phenyl]formamide is sourced from PubChem (CID 89024375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).