N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

C20H24N4O2 — CID 110400478

IUPACN-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ccc1N1CCOCC1)c1ccncc1
InChIInChI=1S/C20H24N4O2/c25-20(16-5-7-21-8-6-16)22-18-15-17(23-9-1-2-10-23)3-4-19(18)24-11-13-26-14-12-24/h3-8,15H,1-2,9-14H2,(H,22,25)
InChIKeySSDAWLBHZMZJJH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.77
Rot. Bonds4

About N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 110400478) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID110400478
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ccc1N1CCOCC1)c1ccncc1
InChIInChI=1S/C20H24N4O2/c25-20(16-5-7-21-8-6-16)22-18-15-17(23-9-1-2-10-23)3-4-19(18)24-11-13-26-14-12-24/h3-8,15H,1-2,9-14H2,(H,22,25)
InChIKeySSDAWLBHZMZJJH-UHFFFAOYSA-N
XLogP2.77
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400459
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
3-methyl-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400455
3-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400397
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
N-(2,4-dimorpholin-4-ylphenyl)pyridine-3-carboxamide
CID 24676967
4-fluoro-N-(5-fluoro-2-morpholin-4-ylphenyl)benzamide
CID 113092686
2-(4-chlorophenyl)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400406
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (CID 110400478) is N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is O=C(Nc1cc(N2CCCC2)ccc1N1CCOCC1)c1ccncc1.
What is the InChIKey of N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is SSDAWLBHZMZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(16-5-7-21-8-6-16)22-18-15-17(23-9-1-2-10-23)3-4-19(18)24-11-13-26-14-12-24/h3-8,15H,1-2,9-14H2,(H,22,25).
What are the key properties of N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 110400478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).