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

C24H24N4O2 — CID 92582721

IUPACN-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CCn1c(-c2ccccn2)cc2cccnc21
InChIInChI=1S/C24H24N4O2/c1-17(19-9-3-4-11-22(19)30-2)27-23(29)12-15-28-21(20-10-5-6-13-25-20)16-18-8-7-14-26-24(18)28/h3-11,13-14,16-17H,12,15H2,1-2H3,(H,27,29)/t17-/m0/s1
InChIKeyOLEONWGFSPQIKC-KRWDZBQOSA-N
MW400.48 g/mol
LogP4.37
Rot. Bonds7

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

N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide (PubChem CID 92582721) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
PubChem CID92582721
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide
SMILESCOc1ccccc1[C@H](C)NC(=O)CCn1c(-c2ccccn2)cc2cccnc21
InChIInChI=1S/C24H24N4O2/c1-17(19-9-3-4-11-22(19)30-2)27-23(29)12-15-28-21(20-10-5-6-13-25-20)16-18-8-7-14-26-24(18)28/h3-11,13-14,16-17H,12,15H2,1-2H3,(H,27,29)/t17-/m0/s1
InChIKeyOLEONWGFSPQIKC-KRWDZBQOSA-N
XLogP4.37
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The IUPAC name of N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide (CID 92582721) is N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The canonical SMILES for N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide is COc1ccccc1[C@H](C)NC(=O)CCn1c(-c2ccccn2)cc2cccnc21.
What is the InChIKey of N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
The InChIKey is OLEONWGFSPQIKC-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-17(19-9-3-4-11-22(19)30-2)27-23(29)12-15-28-21(20-10-5-6-13-25-20)16-18-8-7-14-26-24(18)28/h3-11,13-14,16-17H,12,15H2,1-2H3,(H,27,29)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide?
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide has a molecular weight of 400.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-(2-pyridin-2-ylpyrrolo[2,3-b]pyridin-1-yl)propanamide is sourced from PubChem (CID 92582721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).