N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide

C20H21N3O4 — CID 157498367

IUPACN-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc(OC)c3c2N=C(NC(=O)C2CC2)C3)c(OC)n1
InChIInChI=1S/C20H21N3O4/c1-25-15-8-6-12(13-7-9-17(26-2)23-20(13)27-3)18-14(15)10-16(21-18)22-19(24)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,21,22,24)
InChIKeyBYCKNROWBAQRBB-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.89
Rot. Bonds5

About N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide

N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide (PubChem CID 157498367) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide
PubChem CID157498367
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide
SMILESCOc1ccc(-c2ccc(OC)c3c2N=C(NC(=O)C2CC2)C3)c(OC)n1
InChIInChI=1S/C20H21N3O4/c1-25-15-8-6-12(13-7-9-17(26-2)23-20(13)27-3)18-14(15)10-16(21-18)22-19(24)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,21,22,24)
InChIKeyBYCKNROWBAQRBB-UHFFFAOYSA-N
XLogP2.89
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 149019221
N-(4-methoxy-7-pyridin-3-yl-3H-indol-2-yl)cyclopropanecarboxamide
CID 158644717
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
N-[6-(dimethylamino)-2-methoxy-3-pyridinyl]cyclopropanecarboxamide
CID 155957979
N-[5-[3-[(2,6-dimethoxy-3-pyridinyl)sulfamoyl]-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 89493814
N-(4-methoxy-7-phenyl-3H-indol-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 147014443
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
(2,6-dimethoxy-3-pyridinyl) prop-2-enoate
CID 174450534
dodecanoic acid;N-(6-methoxy-3-pyridinyl)cyclopropanecarboxamide
CID 14304482
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544

Frequently Asked Questions

What is the IUPAC name of N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide (CID 157498367) is N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide is COc1ccc(-c2ccc(OC)c3c2N=C(NC(=O)C2CC2)C3)c(OC)n1.
What is the InChIKey of N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide?
The InChIKey is BYCKNROWBAQRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-25-15-8-6-12(13-7-9-17(26-2)23-20(13)27-3)18-14(15)10-16(21-18)22-19(24)11-4-5-11/h6-9,11H,4-5,10H2,1-3H3,(H,21,22,24).
What are the key properties of N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide?
N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2,6-dimethoxy-3-pyridinyl)-4-methoxy-3H-indol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 157498367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).