N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide

C26H28ClN5O4 — CID 68982094

IUPACN-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C26H28ClN5O4/c1-18-5-7-20(22(16-18)36-13-3-10-32-11-14-35-15-12-32)25(33)30-21-4-2-9-28-24(21)26(34)31-23-8-6-19(27)17-29-23/h2,4-9,16-17H,3,10-15H2,1H3,(H,30,33)(H,29,31,34)
InChIKeyVVUAOTKDFZAIKS-UHFFFAOYSA-N
MW509.99 g/mol
LogP4.04
Rot. Bonds9

About N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 68982094) has the molecular formula C26H28ClN5O4 and a molecular weight of 509.99 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide
PubChem CID68982094
Molecular FormulaC26H28ClN5O4
Molecular Weight509.99 g/mol
Exact Mass509.18
IUPAC NameN-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCCCN2CCOCC2)c1
InChIInChI=1S/C26H28ClN5O4/c1-18-5-7-20(22(16-18)36-13-3-10-32-11-14-35-15-12-32)25(33)30-21-4-2-9-28-24(21)26(34)31-23-8-6-19(27)17-29-23/h2,4-9,16-17H,3,10-15H2,1H3,(H,30,33)(H,29,31,34)
InChIKeyVVUAOTKDFZAIKS-UHFFFAOYSA-N
XLogP4.04
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.99
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide (CID 68982094) is N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide is Cc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCCCN2CCOCC2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is VVUAOTKDFZAIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O4/c1-18-5-7-20(22(16-18)36-13-3-10-32-11-14-35-15-12-32)25(33)30-21-4-2-9-28-24(21)26(34)31-23-8-6-19(27)17-29-23/h2,4-9,16-17H,3,10-15H2,1H3,(H,30,33)(H,29,31,34).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 509.99 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-[[4-methyl-2-(3-morpholin-4-ylpropoxy)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 68982094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).