4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

C33H40N4O3 — CID 152698286

IUPAC4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2[nH]c3ccc(-c4ccnc(C(=O)NC5CCN(C(C)C)CC5)c4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C33H40N4O3/c1-20(2)31-26-17-22(7-9-27(26)36-32(31)24-8-10-29(39-5)30(19-24)40-6)23-11-14-34-28(18-23)33(38)35-25-12-15-37(16-13-25)21(3)4/h7-11,14,17-21,25,36H,12-13,15-16H2,1-6H3,(H,35,38)
InChIKeyZRAMCONZPGCDHV-UHFFFAOYSA-N
MW540.71 g/mol
LogP6.64
Rot. Bonds8

About 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide

4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 152698286) has the molecular formula C33H40N4O3 and a molecular weight of 540.71 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID152698286
Molecular FormulaC33H40N4O3
Molecular Weight540.71 g/mol
Exact Mass540.31
IUPAC Name4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2[nH]c3ccc(-c4ccnc(C(=O)NC5CCN(C(C)C)CC5)c4)cc3c2C(C)C)cc1OC
InChIInChI=1S/C33H40N4O3/c1-20(2)31-26-17-22(7-9-27(26)36-32(31)24-8-10-29(39-5)30(19-24)40-6)23-11-14-34-28(18-23)33(38)35-25-12-15-37(16-13-25)21(3)4/h7-11,14,17-21,25,36H,12-13,15-16H2,1-6H3,(H,35,38)
InChIKeyZRAMCONZPGCDHV-UHFFFAOYSA-N
XLogP6.64
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide (CID 152698286) is 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is COc1ccc(-c2[nH]c3ccc(-c4ccnc(C(=O)NC5CCN(C(C)C)CC5)c4)cc3c2C(C)C)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is ZRAMCONZPGCDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O3/c1-20(2)31-26-17-22(7-9-27(26)36-32(31)24-8-10-29(39-5)30(19-24)40-6)23-11-14-34-28(18-23)33(38)35-25-12-15-37(16-13-25)21(3)4/h7-11,14,17-21,25,36H,12-13,15-16H2,1-6H3,(H,35,38).
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide?
4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 540.71 g/mol, XLogP of 6.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 152698286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).