N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide

C23H21N5O4 — CID 90665751

IUPACN,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)nc1
InChIInChI=1S/C23H21N5O4/c1-13-5-6-20(25-10-13)27-22(29)15-8-18-16(7-14(2)31-18)19(9-15)32-21-12-24-17(11-26-21)23(30)28(3)4/h5-12H,1-4H3,(H,25,27,29)
InChIKeyJYDZDGNPSCSHEV-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.98
Rot. Bonds5

About N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide

N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide (PubChem CID 90665751) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
PubChem CID90665751
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC NameN,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)nc1
InChIInChI=1S/C23H21N5O4/c1-13-5-6-20(25-10-13)27-22(29)15-8-18-16(7-14(2)31-18)19(9-15)32-21-12-24-17(11-26-21)23(30)28(3)4/h5-12H,1-4H3,(H,25,27,29)
InChIKeyJYDZDGNPSCSHEV-UHFFFAOYSA-N
XLogP3.98
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide (CID 90665751) is N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)nc1.
What is the InChIKey of N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
The InChIKey is JYDZDGNPSCSHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-13-5-6-20(25-10-13)27-22(29)15-8-18-16(7-14(2)31-18)19(9-15)32-21-12-24-17(11-26-21)23(30)28(3)4/h5-12H,1-4H3,(H,25,27,29).
What are the key properties of N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide?
N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[2-methyl-6-[(5-methyl-2-pyridinyl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide is sourced from PubChem (CID 90665751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).