N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide

C19H20N4O2 — CID 166340671

IUPACN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide
SMILESCOc1ccc(C)nc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C19H20N4O2/c1-12-5-10-17(25-4)18(21-12)19(24)22-15-6-8-16(9-7-15)23-11-20-13(2)14(23)3/h5-11H,1-4H3,(H,22,24)
InChIKeyGNYNCPPPNFMJAP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.45
Rot. Bonds4

About N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide

N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide (PubChem CID 166340671) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide
PubChem CID166340671
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide
SMILESCOc1ccc(C)nc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1
InChIInChI=1S/C19H20N4O2/c1-12-5-10-17(25-4)18(21-12)19(24)22-15-6-8-16(9-7-15)23-11-20-13(2)14(23)3/h5-11H,1-4H3,(H,22,24)
InChIKeyGNYNCPPPNFMJAP-UHFFFAOYSA-N
XLogP3.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide (CID 166340671) is N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide is COc1ccc(C)nc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1.
What is the InChIKey of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide?
The InChIKey is GNYNCPPPNFMJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-5-10-17(25-4)18(21-12)19(24)22-15-6-8-16(9-7-15)23-11-20-13(2)14(23)3/h5-11H,1-4H3,(H,22,24).
What are the key properties of N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide?
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methoxy-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 166340671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).