N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

C23H26N4O3 — CID 75400684

IUPACN-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CC=C(c3ccnc4[nH]ccc34)CC2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-15(23(28)26-17-4-5-20(29-2)21(14-17)30-3)27-12-8-16(9-13-27)18-6-10-24-22-19(18)7-11-25-22/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyGJPYLTZPPILGGG-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.70
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide

N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (PubChem CID 75400684) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
PubChem CID75400684
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CC=C(c3ccnc4[nH]ccc34)CC2)cc1OC
InChIInChI=1S/C23H26N4O3/c1-15(23(28)26-17-4-5-20(29-2)21(14-17)30-3)27-12-8-16(9-13-27)18-6-10-24-22-19(18)7-11-25-22/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,24,25)(H,26,28)
InChIKeyGJPYLTZPPILGGG-UHFFFAOYSA-N
XLogP3.70
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide (CID 75400684) is N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is COc1ccc(NC(=O)C(C)N2CC=C(c3ccnc4[nH]ccc34)CC2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
The InChIKey is GJPYLTZPPILGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(23(28)26-17-4-5-20(29-2)21(14-17)30-3)27-12-8-16(9-13-27)18-6-10-24-22-19(18)7-11-25-22/h4-8,10-11,14-15H,9,12-13H2,1-3H3,(H,24,25)(H,26,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide?
N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide has a molecular weight of 406.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propanamide is sourced from PubChem (CID 75400684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).