N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C24H28N4O3 — CID 53161211

IUPACN-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCn1cc(C2=CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)c2cccnc21
InChIInChI=1S/C24H28N4O3/c1-4-10-28-16-22(21-6-5-9-25-23(21)28)17-7-11-27(12-8-17)24(29)26-18-13-19(30-2)15-20(14-18)31-3/h5-7,9,13-16H,4,8,10-12H2,1-3H3,(H,26,29)
InChIKeyARVRZCAPVKOJLI-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.78
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 53161211) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID53161211
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCCCn1cc(C2=CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)c2cccnc21
InChIInChI=1S/C24H28N4O3/c1-4-10-28-16-22(21-6-5-9-25-23(21)28)17-7-11-27(12-8-17)24(29)26-18-13-19(30-2)15-20(14-18)31-3/h5-7,9,13-16H,4,8,10-12H2,1-3H3,(H,26,29)
InChIKeyARVRZCAPVKOJLI-UHFFFAOYSA-N
XLogP4.78
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 53161211) is N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CCCn1cc(C2=CCN(C(=O)Nc3cc(OC)cc(OC)c3)CC2)c2cccnc21.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is ARVRZCAPVKOJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-10-28-16-22(21-6-5-9-25-23(21)28)17-7-11-27(12-8-17)24(29)26-18-13-19(30-2)15-20(14-18)31-3/h5-7,9,13-16H,4,8,10-12H2,1-3H3,(H,26,29).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(1-propylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 53161211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).