N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide

C20H21N3O2 — CID 95145430

IUPACN-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C3CC3)[C@H](C)c3cccnc3)[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-13(15-4-3-9-21-12-15)23(16-6-7-16)20(24)19-10-14-5-8-17(25-2)11-18(14)22-19/h3-5,8-13,16,22H,6-7H2,1-2H3/t13-/m1/s1
InChIKeyRJMLNVHGHHCQRL-CYBMUJFWSA-N
MW335.41 g/mol
LogP3.94
Rot. Bonds5

About N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide

N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide (PubChem CID 95145430) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide
PubChem CID95145430
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide
SMILESCOc1ccc2cc(C(=O)N(C3CC3)[C@H](C)c3cccnc3)[nH]c2c1
InChIInChI=1S/C20H21N3O2/c1-13(15-4-3-9-21-12-15)23(16-6-7-16)20(24)19-10-14-5-8-17(25-2)11-18(14)22-19/h3-5,8-13,16,22H,6-7H2,1-2H3/t13-/m1/s1
InChIKeyRJMLNVHGHHCQRL-CYBMUJFWSA-N
XLogP3.94
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 92895153
N-cyclopropyl-6-methoxy-N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-2-carboxamide
CID 91624510
N-[1-(6-methoxy-1H-indole-2-carbonyl)azetidin-3-yl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 91903873
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
3-(4-methoxyphenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]-1H-pyrazole-5-carboxamide
CID 97138639
6-methoxy-N-methyl-N-[(1R)-1-(3-nitrophenyl)ethyl]-1H-indole-2-carboxamide
CID 33115374
tert-butyl N-[(2S)-1-[cyclopropyl-[(1R)-1-pyridin-3-ylethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95293877
(2S)-2-(4-cyanophenoxy)-N-cyclopropyl-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 95283248
4-methoxy-N-methyl-N-(1-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 90649462
2-amino-N-cyclopropyl-5-nitro-N-(1-pyridin-3-ylethyl)benzamide
CID 119034790
1-(4-methoxyphenyl)-N-methyl-N-(1-pyridin-3-ylethyl)cyclopropane-1-carboxamide
CID 56745365
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-6-ethoxy-1H-indole-2-carboxamide
CID 55830001

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide (CID 95145430) is N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide is COc1ccc2cc(C(=O)N(C3CC3)[C@H](C)c3cccnc3)[nH]c2c1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide?
The InChIKey is RJMLNVHGHHCQRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(15-4-3-9-21-12-15)23(16-6-7-16)20(24)19-10-14-5-8-17(25-2)11-18(14)22-19/h3-5,8-13,16,22H,6-7H2,1-2H3/t13-/m1/s1.
What are the key properties of N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide?
N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-[(1R)-1-pyridin-3-ylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 95145430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).