N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide

C21H22N4O3 — CID 136576509

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCc1cccnc1-n1ccnc1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H22N4O3/c26-21(16-4-1-6-18(12-16)28-14-19-7-3-11-27-19)24-13-17-5-2-8-23-20(17)25-10-9-22-15-25/h1-2,4-6,8-10,12,15,19H,3,7,11,13-14H2,(H,24,26)
InChIKeyXGKDDSLUMUVFFH-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.76
Rot. Bonds7

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide (PubChem CID 136576509) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
PubChem CID136576509
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
SMILESO=C(NCc1cccnc1-n1ccnc1)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H22N4O3/c26-21(16-4-1-6-18(12-16)28-14-19-7-3-11-27-19)24-13-17-5-2-8-23-20(17)25-10-9-22-15-25/h1-2,4-6,8-10,12,15,19H,3,7,11,13-14H2,(H,24,26)
InChIKeyXGKDDSLUMUVFFH-UHFFFAOYSA-N
XLogP2.76
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
N-(3-hydroxy-2-pyridinyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 42939966
N-(3-hydroxy-2-pyridinyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 30469054
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 95781316
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
N-(2-ethylphenyl)-3-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 30798336
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide (CID 136576509) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide is O=C(NCc1cccnc1-n1ccnc1)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is XGKDDSLUMUVFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(16-4-1-6-18(12-16)28-14-19-7-3-11-27-19)24-13-17-5-2-8-23-20(17)25-10-9-22-15-25/h1-2,4-6,8-10,12,15,19H,3,7,11,13-14H2,(H,24,26).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 378.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 136576509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).