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

C24H22N4O2 — CID 117093423

IUPAC2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccnc(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C24H22N4O2/c29-24(27-20-2-4-21(5-3-20)28-11-13-30-14-12-28)19-8-10-26-23(16-19)17-1-6-22-18(15-17)7-9-25-22/h1-10,15-16,25H,11-14H2,(H,27,29)
InChIKeySGDOFGFFDBPQCA-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.32
Rot. Bonds4

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

2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide (PubChem CID 117093423) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide
PubChem CID117093423
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1ccnc(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C24H22N4O2/c29-24(27-20-2-4-21(5-3-20)28-11-13-30-14-12-28)19-8-10-26-23(16-19)17-1-6-22-18(15-17)7-9-25-22/h1-10,15-16,25H,11-14H2,(H,27,29)
InChIKeySGDOFGFFDBPQCA-UHFFFAOYSA-N
XLogP4.32
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
3-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46331171
3-[4-(4-methoxyphenoxy)pyrimidin-2-yl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 46386528
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
2-[4-(4-methylpiperazin-1-yl)phenyl]-N-(4-phenoxyphenyl)pyridine-4-carboxamide
CID 117091054
N-[4-(3-methoxypiperidin-1-yl)phenyl]-1H-indole-5-carboxamide
CID 121141605
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
N-(4-morpholin-4-ylphenyl)-3-thiophen-2-ylbenzamide
CID 117093174
N-[3-chloro-4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-indole-5-carboxamide
CID 67113306

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide (CID 117093423) is 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1ccnc(-c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide?
The InChIKey is SGDOFGFFDBPQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-24(27-20-2-4-21(5-3-20)28-11-13-30-14-12-28)19-8-10-26-23(16-19)17-1-6-22-18(15-17)7-9-25-22/h1-10,15-16,25H,11-14H2,(H,27,29).
What are the key properties of 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide?
2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 117093423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).