2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide

C17H18N4O — CID 167743849

IUPAC2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide
SMILESNC(CCc1ccncc1)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C17H18N4O/c18-14(5-4-12-6-9-19-10-7-12)17(22)21-16-3-1-2-15-13(16)8-11-20-15/h1-3,6-11,14,20H,4-5,18H2,(H,21,22)
InChIKeyUXSOGNAPXRGBGD-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.46
Rot. Bonds5

About 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide

2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide (PubChem CID 167743849) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide
PubChem CID167743849
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide
SMILESNC(CCc1ccncc1)C(=O)Nc1cccc2[nH]ccc12
InChIInChI=1S/C17H18N4O/c18-14(5-4-12-6-9-19-10-7-12)17(22)21-16-3-1-2-15-13(16)8-11-20-15/h1-3,6-11,14,20H,4-5,18H2,(H,21,22)
InChIKeyUXSOGNAPXRGBGD-UHFFFAOYSA-N
XLogP2.46
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide 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

2-amino-4-(1H-indol-4-yl)butanoic acid
CID 69406659
2-amino-N-(1H-indol-4-yl)acetamide
CID 110470011
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
CID 104984746
2,2,2-trifluoro-N-(1H-indol-4-yl)acetamide
CID 110470939
(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420
N-(1H-indol-4-yl)-2-(2-phenylethylamino)acetamide
CID 141013500
N-(1H-indol-4-ylmethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 86815165
N-(1H-indol-4-yl)-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239638
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
1-cyclohexyl-3-(1H-indol-4-yl)urea
CID 110748828

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide?
The IUPAC name of 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide (CID 167743849) is 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide?
The canonical SMILES for 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide is NC(CCc1ccncc1)C(=O)Nc1cccc2[nH]ccc12.
What is the InChIKey of 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide?
The InChIKey is UXSOGNAPXRGBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c18-14(5-4-12-6-9-19-10-7-12)17(22)21-16-3-1-2-15-13(16)8-11-20-15/h1-3,6-11,14,20H,4-5,18H2,(H,21,22).
What are the key properties of 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide?
2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide has a molecular weight of 294.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-indol-4-yl)-4-pyridin-4-ylbutanamide is sourced from PubChem (CID 167743849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).