2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide

C25H34N4O3 — CID 134202969

IUPAC2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(OCCCN3CCOCC3)cc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C25H34N4O3/c26-24-23(25(30)28-21-5-2-1-3-6-21)17-20(18-27-24)19-7-9-22(10-8-19)32-14-4-11-29-12-15-31-16-13-29/h7-10,17-18,21H,1-6,11-16H2,(H2,26,27)(H,28,30)
InChIKeyKPONRYYSJPIILR-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.49
Rot. Bonds8

About 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide

2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 134202969) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID134202969
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide
SMILESNc1ncc(-c2ccc(OCCCN3CCOCC3)cc2)cc1C(=O)NC1CCCCC1
InChIInChI=1S/C25H34N4O3/c26-24-23(25(30)28-21-5-2-1-3-6-21)17-20(18-27-24)19-7-9-22(10-8-19)32-14-4-11-29-12-15-31-16-13-29/h7-10,17-18,21H,1-6,11-16H2,(H2,26,27)(H,28,30)
InChIKeyKPONRYYSJPIILR-UHFFFAOYSA-N
XLogP3.49
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide (CID 134202969) is 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide is Nc1ncc(-c2ccc(OCCCN3CCOCC3)cc2)cc1C(=O)NC1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is KPONRYYSJPIILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c26-24-23(25(30)28-21-5-2-1-3-6-21)17-20(18-27-24)19-7-9-22(10-8-19)32-14-4-11-29-12-15-31-16-13-29/h7-10,17-18,21H,1-6,11-16H2,(H2,26,27)(H,28,30).
What are the key properties of 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide?
2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-5-[4-(3-morpholin-4-ylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 134202969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).