methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate

C19H19N3O3 — CID 71975738

IUPACmethyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCCc2c(C)[nH]c3ccccc23)ccn1
InChIInChI=1S/C19H19N3O3/c1-12-14(15-5-3-4-6-16(15)22-12)8-10-21-18(23)13-7-9-20-17(11-13)19(24)25-2/h3-7,9,11,22H,8,10H2,1-2H3,(H,21,23)
InChIKeyKDMXACFNHVRBRV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.63
Rot. Bonds5

About methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate

methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate (PubChem CID 71975738) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
PubChem CID71975738
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Namemethyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(=O)NCCc2c(C)[nH]c3ccccc23)ccn1
InChIInChI=1S/C19H19N3O3/c1-12-14(15-5-3-4-6-16(15)22-12)8-10-21-18(23)13-7-9-20-17(11-13)19(24)25-2/h3-7,9,11,22H,8,10H2,1-2H3,(H,21,23)
InChIKeyKDMXACFNHVRBRV-UHFFFAOYSA-N
XLogP2.63
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
6-(3-methoxyphenyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 155540476
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 16763802
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
4-(1H-imidazol-5-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128767
5-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
CID 112529696
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128760
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate (CID 71975738) is methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate is COC(=O)c1cc(C(=O)NCCc2c(C)[nH]c3ccccc23)ccn1.
What is the InChIKey of methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is KDMXACFNHVRBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12-14(15-5-3-4-6-16(15)22-12)8-10-21-18(23)13-7-9-20-17(11-13)19(24)25-2/h3-7,9,11,22H,8,10H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate?
methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-methyl-1H-indol-3-yl)ethylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 71975738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).