N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine

C23H27N5O2 — CID 144881007

IUPACN-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine
SMILESCN.[H]/N=C(\C)CNC(=O)c1cccc(Nc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C22H22N4O2.CH5N/c1-16(23)14-24-22(28)18-5-4-6-20(13-18)25-19-10-8-17(9-11-19)15-26-12-3-2-7-21(26)27;1-2/h2-13,23,25H,14-15H2,1H3,(H,24,28);2H2,1H3/b23-16+;
InChIKeyOLIRUZOOGKHFRA-BVXBIMGVSA-N
MW405.50 g/mol
LogP2.98
Rot. Bonds7

About N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine

N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine (PubChem CID 144881007) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine.

Molecular Properties

Compound NameN-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine
PubChem CID144881007
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine
SMILESCN.[H]/N=C(\C)CNC(=O)c1cccc(Nc2ccc(Cn3ccccc3=O)cc2)c1
InChIInChI=1S/C22H22N4O2.CH5N/c1-16(23)14-24-22(28)18-5-4-6-20(13-18)25-19-10-8-17(9-11-19)15-26-12-3-2-7-21(26)27;1-2/h2-13,23,25H,14-15H2,1H3,(H,24,28);2H2,1H3/b23-16+;
InChIKeyOLIRUZOOGKHFRA-BVXBIMGVSA-N
XLogP2.98
TPSA113.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine?
The IUPAC name of N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine (CID 144881007) is N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine.
What is the SMILES notation for N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine?
The canonical SMILES for N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine is CN.[H]/N=C(\C)CNC(=O)c1cccc(Nc2ccc(Cn3ccccc3=O)cc2)c1.
What is the InChIKey of N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine?
The InChIKey is OLIRUZOOGKHFRA-BVXBIMGVSA-N. The full InChI is InChI=1S/C22H22N4O2.CH5N/c1-16(23)14-24-22(28)18-5-4-6-20(13-18)25-19-10-8-17(9-11-19)15-26-12-3-2-7-21(26)27;1-2/h2-13,23,25H,14-15H2,1H3,(H,24,28);2H2,1H3/b23-16+;.
What are the key properties of N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine?
N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine has a molecular weight of 405.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iminopropyl)-3-[4-[(2-oxo-1-pyridinyl)methyl]anilino]benzamide;methanamine is sourced from PubChem (CID 144881007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).