N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide

C23H20N4O2 — CID 110286567

IUPACN-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)c1cccnc1
InChIInChI=1S/C23H20N4O2/c28-22(16-7-6-12-24-14-16)27-21(23(29)26-18-8-2-1-3-9-18)13-17-15-25-20-11-5-4-10-19(17)20/h1-12,14-15,21,25H,13H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKeyUGAJAIXUHOGVIR-NRFANRHFSA-N
MW384.44 g/mol
LogP3.54
Rot. Bonds6

About N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide

N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 110286567) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID110286567
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC NameN-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)c1cccnc1
InChIInChI=1S/C23H20N4O2/c28-22(16-7-6-12-24-14-16)27-21(23(29)26-18-8-2-1-3-9-18)13-17-15-25-20-11-5-4-10-19(17)20/h1-12,14-15,21,25H,13H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKeyUGAJAIXUHOGVIR-NRFANRHFSA-N
XLogP3.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 43926506
N-[(2S)-3-(1H-indol-3-yl)-1-(1,2-oxazol-4-ylamino)-1-oxopropan-2-yl]benzamide
CID 162669558
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-amino-3-(1H-indol-3-yl)-N-pyridin-3-ylpropanamide
CID 76892447
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559
(2S)-3-(1H-indol-3-yl)-2-(3-phenylpropanoylamino)-N-pyridin-4-ylpropanamide
CID 72703895
ethyl N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 40830371
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
3-[[(2S)-1-(4-hydroxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 177375477
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-propan-2-ylpropanamide
CID 110286300

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 110286567) is N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide is O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1)c1cccnc1.
What is the InChIKey of N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is UGAJAIXUHOGVIR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20N4O2/c28-22(16-7-6-12-24-14-16)27-21(23(29)26-18-8-2-1-3-9-18)13-17-15-25-20-11-5-4-10-19(17)20/h1-12,14-15,21,25H,13H2,(H,26,29)(H,27,28)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide?
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110286567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).