3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide

C21H24N4O3 — CID 91794083

IUPAC3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1cncc(C(NC(=O)CCn2cnc3ccccc32)C2CC(O)C2)c1
InChIInChI=1S/C21H24N4O3/c1-28-17-10-15(11-22-12-17)21(14-8-16(26)9-14)24-20(27)6-7-25-13-23-18-4-2-3-5-19(18)25/h2-5,10-14,16,21,26H,6-9H2,1H3,(H,24,27)
InChIKeyXHRWPIDAQRZAOZ-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.46
Rot. Bonds7

About 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide (PubChem CID 91794083) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide
PubChem CID91794083
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide
SMILESCOc1cncc(C(NC(=O)CCn2cnc3ccccc32)C2CC(O)C2)c1
InChIInChI=1S/C21H24N4O3/c1-28-17-10-15(11-22-12-17)21(14-8-16(26)9-14)24-20(27)6-7-25-13-23-18-4-2-3-5-19(18)25/h2-5,10-14,16,21,26H,6-9H2,1H3,(H,24,27)
InChIKeyXHRWPIDAQRZAOZ-UHFFFAOYSA-N
XLogP2.46
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-methoxyacetamide
CID 91783772
3-(benzimidazol-1-yl)-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]propanamide
CID 91759809
methyl 2-[3-(benzimidazol-1-yl)propanoylamino]propanoate
CID 60675736
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 91787528
3-(2-ethylimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]propanamide
CID 91762443
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 91788000
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-1-(imidazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 91765223
N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 91775243
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
CID 91781261
2-ethyl-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 91764734
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
3-(benzimidazol-1-yl)-N-(1-hydroxy-3,3-dimethylbutan-2-yl)propanamide
CID 122230767

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide (CID 91794083) is 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide is COc1cncc(C(NC(=O)CCn2cnc3ccccc32)C2CC(O)C2)c1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide?
The InChIKey is XHRWPIDAQRZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-28-17-10-15(11-22-12-17)21(14-8-16(26)9-14)24-20(27)6-7-25-13-23-18-4-2-3-5-19(18)25/h2-5,10-14,16,21,26H,6-9H2,1H3,(H,24,27).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide has a molecular weight of 380.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(3-hydroxycyclobutyl)-(5-methoxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 91794083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).