4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide

C23H23N5O2 — CID 59680058

IUPAC4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN(C)C
InChIInChI=1S/C23H23N5O2/c1-28(2)14-16-11-10-15(13-20(16)30-3)23(29)26-18-8-5-4-7-17(18)21-25-19-9-6-12-24-22(19)27-21/h4-13H,14H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyJPVOLWGKTLIYJV-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.95
Rot. Bonds6

About 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide

4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide (PubChem CID 59680058) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide
PubChem CID59680058
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN(C)C
InChIInChI=1S/C23H23N5O2/c1-28(2)14-16-11-10-15(13-20(16)30-3)23(29)26-18-8-5-4-7-17(18)21-25-19-9-6-12-24-22(19)27-21/h4-13H,14H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyJPVOLWGKTLIYJV-UHFFFAOYSA-N
XLogP3.95
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(piperidin-1-ylmethyl)benzamide
CID 59679856
[4-[(dimethylamino)methyl]-3-methoxyphenyl]-[2-(1H-imidazo[4,5-b]pyridin-2-yl)anilino]methanol
CID 71216560
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxy-4-(pyrrolidin-1-ylmethyl)benzamide
CID 59679963
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-ethoxy-4-methoxybenzamide
CID 134059402
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59680411
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
ethane;N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxy-4-(morpholin-4-ylmethyl)cyclohepta-2,4-diene-1-carboxamide
CID 143409965
[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl] acetate
CID 10083598
4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide
CID 71847600
3-fluoro-4-methoxy-N-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
CID 59679941
4-(1H-imidazo[4,5-b]pyridin-2-yl)-2,6-dimethoxyphenol
CID 154667096
N-[2-(1H-benzimidazol-2-yl)phenyl]pyridine-3-carboxamide
CID 23826035

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide (CID 59680058) is 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide is COc1cc(C(=O)Nc2ccccc2-c2nc3ncccc3[nH]2)ccc1CN(C)C.
What is the InChIKey of 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide?
The InChIKey is JPVOLWGKTLIYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-28(2)14-16-11-10-15(13-20(16)30-3)23(29)26-18-8-5-4-7-17(18)21-25-19-9-6-12-24-22(19)27-21/h4-13H,14H2,1-3H3,(H,26,29)(H,24,25,27).
What are the key properties of 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide?
4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide has a molecular weight of 401.47 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N-[2-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 59680058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).