N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide

C25H26N4O3 — CID 110223613

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCn2c(-c3cccnc3)cc3cccnc32)c1
InChIInChI=1S/C25H26N4O3/c1-17(21-15-20(31-2)8-9-23(21)32-3)28-24(30)10-13-29-22(19-7-4-11-26-16-19)14-18-6-5-12-27-25(18)29/h4-9,11-12,14-17H,10,13H2,1-3H3,(H,28,30)
InChIKeyWSAXEYPWKDBYNI-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.38
Rot. Bonds8

About N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide (PubChem CID 110223613) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
PubChem CID110223613
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)CCn2c(-c3cccnc3)cc3cccnc32)c1
InChIInChI=1S/C25H26N4O3/c1-17(21-15-20(31-2)8-9-23(21)32-3)28-24(30)10-13-29-22(19-7-4-11-26-16-19)14-18-6-5-12-27-25(18)29/h4-9,11-12,14-17H,10,13H2,1-3H3,(H,28,30)
InChIKeyWSAXEYPWKDBYNI-UHFFFAOYSA-N
XLogP4.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
CID 92582721
N-cyclopropyl-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
CID 46965776
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 17023123
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 134056639
2-[[(S)-cyclopropyl(pyridin-3-yl)methyl]amino]-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 97352749
2-[[cyclopropyl(pyridin-3-yl)methyl]amino]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 75455968
propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
CID 46962960
N-(2,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)pyrrolo[2,3-b]pyridin-1-yl]propanamide
CID 92594692
3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide
CID 58739189
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595828
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19543768

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide (CID 110223613) is N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide is COc1ccc(OC)c(C(C)NC(=O)CCn2c(-c3cccnc3)cc3cccnc32)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The InChIKey is WSAXEYPWKDBYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(21-15-20(31-2)8-9-23(21)32-3)28-24(30)10-13-29-22(19-7-4-11-26-16-19)14-18-6-5-12-27-25(18)29/h4-9,11-12,14-17H,10,13H2,1-3H3,(H,28,30).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide has a molecular weight of 430.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-3-(2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide is sourced from PubChem (CID 110223613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).