1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide

C19H21N3O2 — CID 171519707

IUPAC1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(OCC4=NCC=C4)cc3[nH]2)CC1
InChIInChI=1S/C19H21N3O2/c1-19(6-7-19)18(23)21-11-15-9-13-4-5-16(10-17(13)22-15)24-12-14-3-2-8-20-14/h2-5,9-10,22H,6-8,11-12H2,1H3,(H,21,23)
InChIKeyVQCWYNCYZZDUMY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds6

About 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide

1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 171519707) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID171519707
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3ccc(OCC4=NCC=C4)cc3[nH]2)CC1
InChIInChI=1S/C19H21N3O2/c1-19(6-7-19)18(23)21-11-15-9-13-4-5-16(10-17(13)22-15)24-12-14-3-2-8-20-14/h2-5,9-10,22H,6-8,11-12H2,1H3,(H,21,23)
InChIKeyVQCWYNCYZZDUMY-UHFFFAOYSA-N
XLogP2.97
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196
N-[[5-methoxy-6-[2-(2H-pyrrol-5-yl)ethyl]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171517838
N-[[6-[(Z)-2,3-diaminoprop-2-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519355
N-[[6-[(Z)-4-amino-2-oxobut-3-enoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519150
N-[(6-amino-1H-indol-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 171517883
N-[[6-(2,3-diiminopropoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide;methanamine
CID 171519353
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
1-methyl-N-[[6-[(E)-2-(5-methyl-1,2-oxazol-3-yl)prop-1-enyl]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171519749
N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518747
N-[[5-chloro-6-[(5-chloro-1,3-thiazol-4-yl)methoxy]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519375

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide (CID 171519707) is 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3ccc(OCC4=NCC=C4)cc3[nH]2)CC1.
What is the InChIKey of 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is VQCWYNCYZZDUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19(6-7-19)18(23)21-11-15-9-13-4-5-16(10-17(13)22-15)24-12-14-3-2-8-20-14/h2-5,9-10,22H,6-8,11-12H2,1H3,(H,21,23).
What are the key properties of 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide?
1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-(2H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 171519707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).