N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide

C16H14N4O2 — CID 142011569

IUPACN-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide
SMILESCc1cc2cc(/N=C(\N)NC(=O)c3ccncc3)ccc2o1
InChIInChI=1S/C16H14N4O2/c1-10-8-12-9-13(2-3-14(12)22-10)19-16(17)20-15(21)11-4-6-18-7-5-11/h2-9H,1H3,(H3,17,19,20,21)
InChIKeyXBWWCJMFNLJTQD-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.51
Rot. Bonds2

About N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide

N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide (PubChem CID 142011569) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide
PubChem CID142011569
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide
SMILESCc1cc2cc(/N=C(\N)NC(=O)c3ccncc3)ccc2o1
InChIInChI=1S/C16H14N4O2/c1-10-8-12-9-13(2-3-14(12)22-10)19-16(17)20-15(21)11-4-6-18-7-5-11/h2-9H,1H3,(H3,17,19,20,21)
InChIKeyXBWWCJMFNLJTQD-UHFFFAOYSA-N
XLogP2.51
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide?
The IUPAC name of N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide (CID 142011569) is N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide?
The canonical SMILES for N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide is Cc1cc2cc(/N=C(\N)NC(=O)c3ccncc3)ccc2o1.
What is the InChIKey of N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide?
The InChIKey is XBWWCJMFNLJTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10-8-12-9-13(2-3-14(12)22-10)19-16(17)20-15(21)11-4-6-18-7-5-11/h2-9H,1H3,(H3,17,19,20,21).
What are the key properties of N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide?
N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]pyridine-4-carboxamide is sourced from PubChem (CID 142011569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).