3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

C19H25N3O — CID 119774512

IUPAC3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc2[nH]cc(CCNC(=O)C3C4CCC(C4)C3N)c12
InChIInChI=1S/C19H25N3O/c1-11-3-2-4-15-16(11)14(10-22-15)7-8-21-19(23)17-12-5-6-13(9-12)18(17)20/h2-4,10,12-13,17-18,22H,5-9,20H2,1H3,(H,21,23)
InChIKeyMTIDGKSWDUMAFY-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.51
Rot. Bonds4

About 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119774512) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119774512
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cccc2[nH]cc(CCNC(=O)C3C4CCC(C4)C3N)c12
InChIInChI=1S/C19H25N3O/c1-11-3-2-4-15-16(11)14(10-22-15)7-8-21-19(23)17-12-5-6-13(9-12)18(17)20/h2-4,10,12-13,17-18,22H,5-9,20H2,1H3,(H,21,23)
InChIKeyMTIDGKSWDUMAFY-UHFFFAOYSA-N
XLogP2.51
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119779424
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 119774498
3-amino-N-(2-naphthalen-1-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119722507
2-(cyclopropylmethylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774526
3-amino-N-[2-(3-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119745498
1-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 119318274
2-(methylamino)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119774518
3-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119772874
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-[2-(4-methyl-1H-indol-3-yl)ethyl]urea
CID 110012348
1-[2-(4-methyl-1H-indol-3-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111100810
1-hydroxy-N-[2-(4-methyl-1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 110932725
3-(hydroxymethyl)-N-[2-(4-methyl-1H-indol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 111444019

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 119774512) is 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is Cc1cccc2[nH]cc(CCNC(=O)C3C4CCC(C4)C3N)c12.
What is the InChIKey of 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MTIDGKSWDUMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-11-3-2-4-15-16(11)14(10-22-15)7-8-21-19(23)17-12-5-6-13(9-12)18(17)20/h2-4,10,12-13,17-18,22H,5-9,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-methyl-1H-indol-3-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119774512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).