N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide

C20H24N4O2 — CID 49046064

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NCc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C20H24N4O2/c1-15(2)13-26-10-9-20(25)22-12-16-7-8-19(21-11-16)24-14-23-17-5-3-4-6-18(17)24/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyGHSCDQDIPXKHQC-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.10
Rot. Bonds8

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide (PubChem CID 49046064) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide
PubChem CID49046064
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)NCc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C20H24N4O2/c1-15(2)13-26-10-9-20(25)22-12-16-7-8-19(21-11-16)24-14-23-17-5-3-4-6-18(17)24/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyGHSCDQDIPXKHQC-UHFFFAOYSA-N
XLogP3.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.10
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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Related Compounds

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-4-ethoxybutanamide
CID 49046049
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 49045941
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-fluorophenyl)propanamide
CID 49046518
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-[benzyl(methyl)amino]acetamide
CID 49045784
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 49046801
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 49046752
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 49046400
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 49046652
1-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]urea
CID 154805885
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 49046358
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62293136
1-(aminomethyl)-N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-hydroxycyclobutane-1-carboxamide
CID 167979437

Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide (CID 49046064) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)NCc1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is GHSCDQDIPXKHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(2)13-26-10-9-20(25)22-12-16-7-8-19(21-11-16)24-14-23-17-5-3-4-6-18(17)24/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 352.44 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 49046064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).