N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide

C16H14N4O3 — CID 142011593

IUPACN-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc2cc(/N=C(\N)NC(=O)c3ccc(=O)[nH]c3)ccc2o1
InChIInChI=1S/C16H14N4O3/c1-9-6-11-7-12(3-4-13(11)23-9)19-16(17)20-15(22)10-2-5-14(21)18-8-10/h2-8H,1H3,(H,18,21)(H3,17,19,20,22)
InChIKeyKUCKUDYHTRBSGD-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.81
Rot. Bonds2

About N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide

N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 142011593) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID142011593
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc2cc(/N=C(\N)NC(=O)c3ccc(=O)[nH]c3)ccc2o1
InChIInChI=1S/C16H14N4O3/c1-9-6-11-7-12(3-4-13(11)23-9)19-16(17)20-15(22)10-2-5-14(21)18-8-10/h2-8H,1H3,(H,18,21)(H3,17,19,20,22)
InChIKeyKUCKUDYHTRBSGD-UHFFFAOYSA-N
XLogP1.81
TPSA113.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.81
H-Bond Donors ≤ 53
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]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide (CID 142011593) is N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cc2cc(/N=C(\N)NC(=O)c3ccc(=O)[nH]c3)ccc2o1.
What is the InChIKey of N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KUCKUDYHTRBSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-9-6-11-7-12(3-4-13(11)23-9)19-16(17)20-15(22)10-2-5-14(21)18-8-10/h2-8H,1H3,(H,18,21)(H3,17,19,20,22).
What are the key properties of N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[N'-(2-methyl-1-benzofuran-5-yl)carbamimidoyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 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]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 142011593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).