N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide

C24H24ClN5O2 — CID 18728110

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide
SMILES[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
InChIInChI=1S/C24H24ClN5O2/c25-19-7-10-22(28-16-19)29-24(31)21-4-2-1-3-18(21)15-27-20-8-5-17(6-9-20)23(26)30-11-13-32-14-12-30/h1-10,16,26-27H,11-15H2,(H,28,29,31)/b26-23-
InChIKeyMFBHGHVTEHIHIE-RWEWTDSWSA-N
MW449.94 g/mol
LogP4.26
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide

N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide (PubChem CID 18728110) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide
PubChem CID18728110
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide
SMILES[H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
InChIInChI=1S/C24H24ClN5O2/c25-19-7-10-22(28-16-19)29-24(31)21-4-2-1-3-18(21)15-27-20-8-5-17(6-9-20)23(26)30-11-13-32-14-12-30/h1-10,16,26-27H,11-15H2,(H,28,29,31)/b26-23-
InChIKeyMFBHGHVTEHIHIE-RWEWTDSWSA-N
XLogP4.26
TPSA90.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide (CID 18728110) is N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide is [H]/N=C(/c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide?
The InChIKey is MFBHGHVTEHIHIE-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c25-19-7-10-22(28-16-19)29-24(31)21-4-2-1-3-18(21)15-27-20-8-5-17(6-9-20)23(26)30-11-13-32-14-12-30/h1-10,16,26-27H,11-15H2,(H,28,29,31)/b26-23-.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide has a molecular weight of 449.94 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(morpholine-4-carboximidoyl)anilino]methyl]benzamide is sourced from PubChem (CID 18728110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).