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

C23H25N5O — CID 18827417

IUPACN-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NCCCn1ccnc1
InChIInChI=1S/C23H25N5O/c29-22(26-13-6-15-28-16-14-24-17-28)11-5-8-19-18-7-1-2-9-20(18)27-23(19)21-10-3-4-12-25-21/h1-4,7,9-10,12,14,16-17,27H,5-6,8,11,13,15H2,(H,26,29)
InChIKeyJMCGWHPPVQGIQM-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.96
Rot. Bonds9

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

N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (PubChem CID 18827417) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
PubChem CID18827417
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
SMILESO=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NCCCn1ccnc1
InChIInChI=1S/C23H25N5O/c29-22(26-13-6-15-28-16-14-24-17-28)11-5-8-19-18-7-1-2-9-20(18)27-23(19)21-10-3-4-12-25-21/h1-4,7,9-10,12,14,16-17,27H,5-6,8,11,13,15H2,(H,26,29)
InChIKeyJMCGWHPPVQGIQM-UHFFFAOYSA-N
XLogP3.96
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-2-yl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18846778
N-hexadecyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832762
N-cyclohexyl-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827474
N-(2,6-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827573
N-(2-methoxyethyl)-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832681
N-benzyl-4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18832746
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
4-(5-chloro-2-pyridin-2-yl-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)butanamide
CID 18832881
1-(azepan-1-yl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butan-1-one
CID 18827484
4-(5-methyl-2-pyridin-2-yl-1H-indol-3-yl)-N-prop-2-enylbutanamide
CID 18832745
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506
N-(4-imidazol-1-ylbutyl)-4-pyridin-4-ylbutanamide
CID 175659813

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide (CID 18827417) is N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is O=C(CCCc1c(-c2ccccn2)[nH]c2ccccc12)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
The InChIKey is JMCGWHPPVQGIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c29-22(26-13-6-15-28-16-14-24-17-28)11-5-8-19-18-7-1-2-9-20(18)27-23(19)21-10-3-4-12-25-21/h1-4,7,9-10,12,14,16-17,27H,5-6,8,11,13,15H2,(H,26,29).
What are the key properties of N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide?
N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide has a molecular weight of 387.49 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide is sourced from PubChem (CID 18827417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).