N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide

C22H20N4O — CID 18846778

IUPACN-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)Nc1ccccn1
InChIInChI=1S/C22H20N4O/c27-21(26-20-12-4-6-15-24-20)13-7-9-17-16-8-1-2-10-18(16)25-22(17)19-11-3-5-14-23-19/h1-6,8,10-12,14-15,25H,7,9,13H2,(H,24,26,27)
InChIKeyOGOMQZBVRWFKOV-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.59
Rot. Bonds6

About N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide

N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18846778) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18846778
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)Nc1ccccn1
InChIInChI=1S/C22H20N4O/c27-21(26-20-12-4-6-15-24-20)13-7-9-17-16-8-1-2-10-18(16)25-22(17)19-11-3-5-14-23-19/h1-6,8,10-12,14-15,25H,7,9,13H2,(H,24,26,27)
InChIKeyOGOMQZBVRWFKOV-UHFFFAOYSA-N
XLogP4.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827573
N-(2,3-dimethylphenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827424
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506
N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827474
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-pyridin-4-ylbutanamide
CID 18832718
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyridin-2-ylpropanamide
CID 56809441
N-(3-methyl-2-pyridinyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832689
N-(3-acetylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832735
N-(4-chlorophenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832794
1-(azepan-1-yl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18827484
N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827417
N-(2,3-dimethylphenyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832695

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18846778) is N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)Nc1ccccn1.
What is the InChIKey of N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is OGOMQZBVRWFKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21(26-20-12-4-6-15-24-20)13-7-9-17-16-8-1-2-10-18(16)25-22(17)19-11-3-5-14-23-19/h1-6,8,10-12,14-15,25H,7,9,13H2,(H,24,26,27).
What are the key properties of N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 356.43 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18846778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).