2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide

C21H28N4O2 — CID 90867550

IUPAC2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCCN(c1ncccc1C(=O)NCCc1ccccc1)N1CCOCC1
InChIInChI=1S/C21H28N4O2/c1-2-13-25(24-14-16-27-17-15-24)20-19(9-6-11-22-20)21(26)23-12-10-18-7-4-3-5-8-18/h3-9,11H,2,10,12-17H2,1H3,(H,23,26)
InChIKeyIWFSGXCNVKHSPF-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.52
Rot. Bonds8

About 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide

2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 90867550) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID90867550
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCCCN(c1ncccc1C(=O)NCCc1ccccc1)N1CCOCC1
InChIInChI=1S/C21H28N4O2/c1-2-13-25(24-14-16-27-17-15-24)20-19(9-6-11-22-20)21(26)23-12-10-18-7-4-3-5-8-18/h3-9,11H,2,10,12-17H2,1H3,(H,23,26)
InChIKeyIWFSGXCNVKHSPF-UHFFFAOYSA-N
XLogP2.52
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide (CID 90867550) is 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide is CCCN(c1ncccc1C(=O)NCCc1ccccc1)N1CCOCC1.
What is the InChIKey of 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is IWFSGXCNVKHSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-13-25(24-14-16-27-17-15-24)20-19(9-6-11-22-20)21(26)23-12-10-18-7-4-3-5-8-18/h3-9,11H,2,10,12-17H2,1H3,(H,23,26).
What are the key properties of 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide?
2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[morpholin-4-yl(propyl)amino]-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 90867550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).