4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide

C18H20N4O2 — CID 22690130

IUPAC4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide
SMILESNCCCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccn1)CC2
InChIInChI=1S/C18H20N4O2/c19-9-3-5-17(23)21-14-7-6-13-8-11-22(16(13)12-14)18(24)15-4-1-2-10-20-15/h1-2,4,6-7,10,12H,3,5,8-9,11,19H2,(H,21,23)
InChIKeyTYEGAWJZCRREMF-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.96
Rot. Bonds5

About 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide

4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide (PubChem CID 22690130) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide
PubChem CID22690130
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide
SMILESNCCCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccn1)CC2
InChIInChI=1S/C18H20N4O2/c19-9-3-5-17(23)21-14-7-6-13-8-11-22(16(13)12-14)18(24)15-4-1-2-10-20-15/h1-2,4,6-7,10,12H,3,5,8-9,11,19H2,(H,21,23)
InChIKeyTYEGAWJZCRREMF-UHFFFAOYSA-N
XLogP1.96
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide
CID 22689879
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
2-amino-N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]acetamide
CID 22689805
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-aminobutanamide;hydrochloride
CID 119271758
2,3-dihydro-1H-indole;2,3-dihydroindol-1-yl(pyridin-2-yl)methanone;ethane-1,2-diamine
CID 161068901
N-(1-acetyl-2,3-dihydroindol-6-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627251
N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]-4-pyridin-3-ylbutanamide
CID 110623583
2,3-dihydroindol-1-yl-(4-hydrazinyl-2-pyridinyl)methanone
CID 62249581
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
3-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110623559

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide?
The IUPAC name of 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide (CID 22690130) is 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide?
The canonical SMILES for 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide is NCCCC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccn1)CC2.
What is the InChIKey of 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide?
The InChIKey is TYEGAWJZCRREMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-9-3-5-17(23)21-14-7-6-13-8-11-22(16(13)12-14)18(24)15-4-1-2-10-20-15/h1-2,4,6-7,10,12H,3,5,8-9,11,19H2,(H,21,23).
What are the key properties of 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide?
4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide has a molecular weight of 324.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-6-yl]butanamide is sourced from PubChem (CID 22690130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).