3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide

C24H24N4O — CID 122445553

IUPAC3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N4O/c1-18(20-11-6-3-7-12-20)26-23(29)15-14-22-27-21-13-8-16-25-24(21)28(22)17-19-9-4-2-5-10-19/h2-13,16,18H,14-15,17H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyLADAPKJTWXIYQL-SFHVURJKSA-N
MW384.48 g/mol
LogP4.29
Rot. Bonds7

About 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide

3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 122445553) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
PubChem CID122445553
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H24N4O/c1-18(20-11-6-3-7-12-20)26-23(29)15-14-22-27-21-13-8-16-25-24(21)28(22)17-19-9-4-2-5-10-19/h2-13,16,18H,14-15,17H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyLADAPKJTWXIYQL-SFHVURJKSA-N
XLogP4.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide (CID 122445553) is 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is LADAPKJTWXIYQL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H24N4O/c1-18(20-11-6-3-7-12-20)26-23(29)15-14-22-27-21-13-8-16-25-24(21)28(22)17-19-9-4-2-5-10-19/h2-13,16,18H,14-15,17H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide?
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 122445553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).