(2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide

C19H22N4O2 — CID 22689879

IUPAC(2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1ccccn1
InChIInChI=1S/C19H22N4O2/c1-12(2)17(20)18(24)22-14-6-7-16-13(11-14)8-10-23(16)19(25)15-5-3-4-9-21-15/h3-7,9,11-12,17H,8,10,20H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyGPHJIGXQPHECPH-KRWDZBQOSA-N
MW338.41 g/mol
LogP2.21
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide

(2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide (PubChem CID 22689879) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide
PubChem CID22689879
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1ccccn1
InChIInChI=1S/C19H22N4O2/c1-12(2)17(20)18(24)22-14-6-7-16-13(11-14)8-10-23(16)19(25)15-5-3-4-9-21-15/h3-7,9,11-12,17H,8,10,20H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyGPHJIGXQPHECPH-KRWDZBQOSA-N
XLogP2.21
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide (CID 22689879) is (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide is CC(C)[C@H](N)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1ccccn1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide?
The InChIKey is GPHJIGXQPHECPH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12(2)17(20)18(24)22-14-6-7-16-13(11-14)8-10-23(16)19(25)15-5-3-4-9-21-15/h3-7,9,11-12,17H,8,10,20H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide?
(2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide has a molecular weight of 338.41 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[1-(pyridine-2-carbonyl)-2,3-dihydroindol-5-yl]butanamide is sourced from PubChem (CID 22689879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).