N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide

C26H26ClN5O4 — CID 89302208

IUPACN-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(OC)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
InChIInChI=1S/C26H26ClN5O4/c1-16-13-20(26(34)30-22-8-7-19(27)15-29-22)23(21(14-16)35-2)31-25(33)18-5-3-17(4-6-18)24(28)32-9-11-36-12-10-32/h3-8,13-15,28H,9-12H2,1-2H3,(H,31,33)(H,29,30,34)/b28-24-
InChIKeyMJNXAWVRJOQMAK-COOPMVRXSA-N
MW507.98 g/mol
LogP4.21
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide (PubChem CID 89302208) has the molecular formula C26H26ClN5O4 and a molecular weight of 507.98 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
PubChem CID89302208
Molecular FormulaC26H26ClN5O4
Molecular Weight507.98 g/mol
Exact Mass507.17
IUPAC NameN-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(OC)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1
InChIInChI=1S/C26H26ClN5O4/c1-16-13-20(26(34)30-22-8-7-19(27)15-29-22)23(21(14-16)35-2)31-25(33)18-5-3-17(4-6-18)24(28)32-9-11-36-12-10-32/h3-8,13-15,28H,9-12H2,1-2H3,(H,31,33)(H,29,30,34)/b28-24-
InChIKeyMJNXAWVRJOQMAK-COOPMVRXSA-N
XLogP4.21
TPSA116.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.98
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide (CID 89302208) is N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide is [H]/N=C(/c1ccc(C(=O)Nc2c(OC)cc(C)cc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide?
The InChIKey is MJNXAWVRJOQMAK-COOPMVRXSA-N. The full InChI is InChI=1S/C26H26ClN5O4/c1-16-13-20(26(34)30-22-8-7-19(27)15-29-22)23(21(14-16)35-2)31-25(33)18-5-3-17(4-6-18)24(28)32-9-11-36-12-10-32/h3-8,13-15,28H,9-12H2,1-2H3,(H,31,33)(H,29,30,34)/b28-24-.
What are the key properties of N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide has a molecular weight of 507.98 g/mol, XLogP of 4.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-methoxy-5-methyl-2-[[4-(morpholine-4-carboximidoyl)benzoyl]amino]benzamide is sourced from PubChem (CID 89302208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).