N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C23H30N4O2 — CID 20867277

IUPACN-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCCCCCCNC(=O)CCc1nc2cccnc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C23H30N4O2/c1-3-4-5-6-15-24-22(28)14-13-21-26-20-8-7-16-25-23(20)27(21)17-18-9-11-19(29-2)12-10-18/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,24,28)
InChIKeyMZZQBGXCKRVUMD-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.12
Rot. Bonds11

About N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 20867277) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID20867277
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCCCCCCNC(=O)CCc1nc2cccnc2n1Cc1ccc(OC)cc1
InChIInChI=1S/C23H30N4O2/c1-3-4-5-6-15-24-22(28)14-13-21-26-20-8-7-16-25-23(20)27(21)17-18-9-11-19(29-2)12-10-18/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,24,28)
InChIKeyMZZQBGXCKRVUMD-UHFFFAOYSA-N
XLogP4.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 20867277) is N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is CCCCCCNC(=O)CCc1nc2cccnc2n1Cc1ccc(OC)cc1.
What is the InChIKey of N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is MZZQBGXCKRVUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-4-5-6-15-24-22(28)14-13-21-26-20-8-7-16-25-23(20)27(21)17-18-9-11-19(29-2)12-10-18/h7-12,16H,3-6,13-15,17H2,1-2H3,(H,24,28).
What are the key properties of N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 394.52 g/mol, XLogP of 4.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 20867277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).