N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

C20H19ClN4O3 — CID 52919802

IUPACN-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NC2COc3ccc(Cl)c(C)c32)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H19ClN4O3/c1-11-8-25(10-22-11)16-6-5-14(24-20(16)27-3)19(26)23-15-9-28-17-7-4-13(21)12(2)18(15)17/h4-8,10,15H,9H2,1-3H3,(H,23,26)
InChIKeyDKUGACZBVPGPQR-UHFFFAOYSA-N
MW398.85 g/mol
LogP3.41
Rot. Bonds4

About N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide

N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (PubChem CID 52919802) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
PubChem CID52919802
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC NameN-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
SMILESCOc1nc(C(=O)NC2COc3ccc(Cl)c(C)c32)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H19ClN4O3/c1-11-8-25(10-22-11)16-6-5-14(24-20(16)27-3)19(26)23-15-9-28-17-7-4-13(21)12(2)18(15)17/h4-8,10,15H,9H2,1-3H3,(H,23,26)
InChIKeyDKUGACZBVPGPQR-UHFFFAOYSA-N
XLogP3.41
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide (CID 52919802) is N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is COc1nc(C(=O)NC2COc3ccc(Cl)c(C)c32)ccc1-n1cnc(C)c1.
What is the InChIKey of N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
The InChIKey is DKUGACZBVPGPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c1-11-8-25(10-22-11)16-6-5-14(24-20(16)27-3)19(26)23-15-9-28-17-7-4-13(21)12(2)18(15)17/h4-8,10,15H,9H2,1-3H3,(H,23,26).
What are the key properties of N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide?
N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-2,3-dihydro-1-benzofuran-3-yl)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 52919802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).