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

C22H29N5O2 — CID 109207695

IUPAC4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc(NCCN2CCOCC2)ccn1
InChIInChI=1S/C22H29N5O2/c28-22(25-18-3-5-20(6-4-18)27-10-1-2-11-27)21-17-19(7-8-24-21)23-9-12-26-13-15-29-16-14-26/h3-8,17H,1-2,9-16H2,(H,23,24)(H,25,28)
InChIKeyAASWITZSVGYNNO-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.68
Rot. Bonds7

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

4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 109207695) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID109207695
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cc(NCCN2CCOCC2)ccn1
InChIInChI=1S/C22H29N5O2/c28-22(25-18-3-5-20(6-4-18)27-10-1-2-11-27)21-17-19(7-8-24-21)23-9-12-26-13-15-29-16-14-26/h3-8,17H,1-2,9-16H2,(H,23,24)(H,25,28)
InChIKeyAASWITZSVGYNNO-UHFFFAOYSA-N
XLogP2.68
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207703
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674
N-(2,3-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207708
4-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109212916
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
N-[2-(2-fluorophenyl)ethyl]-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207606
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203
4-(2-methylpropylamino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109203053
N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185754
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 109207695) is 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cc(NCCN2CCOCC2)ccn1.
What is the InChIKey of 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is AASWITZSVGYNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-22(25-18-3-5-20(6-4-18)27-10-1-2-11-27)21-17-19(7-8-24-21)23-9-12-26-13-15-29-16-14-26/h3-8,17H,1-2,9-16H2,(H,23,24)(H,25,28).
What are the key properties of 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109207695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).