5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide

C24H22N4O2 — CID 109193540

IUPAC5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nc2)cc1
InChIInChI=1S/C24H22N4O2/c1-16(29)17-6-8-19(9-7-17)28-20-10-11-23(27-15-20)24(30)25-13-12-18-14-26-22-5-3-2-4-21(18)22/h2-11,14-15,26,28H,12-13H2,1H3,(H,25,30)
InChIKeyCVKSFCPMRQZHTH-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.48
Rot. Bonds7

About 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide

5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 109193540) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID109193540
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCC(=O)c1ccc(Nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nc2)cc1
InChIInChI=1S/C24H22N4O2/c1-16(29)17-6-8-19(9-7-17)28-20-10-11-23(27-15-20)24(30)25-13-12-18-14-26-22-5-3-2-4-21(18)22/h2-11,14-15,26,28H,12-13H2,1H3,(H,25,30)
InChIKeyCVKSFCPMRQZHTH-UHFFFAOYSA-N
XLogP4.48
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109193538
5-(benzylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109188002
5-(3-cyanoanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
CID 109193546
N-[2-(dimethylamino)ethyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109185316
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
N-benzyl-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109187851
N-[2-(1H-indol-3-yl)ethyl]-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191325
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[(4-fluorophenyl)methyl]-5-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109189607
3-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027454
5-(4-ethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109237657
2-(4-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331647

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide (CID 109193540) is 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is CC(=O)c1ccc(Nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)nc2)cc1.
What is the InChIKey of 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is CVKSFCPMRQZHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16(29)17-6-8-19(9-7-17)28-20-10-11-23(27-15-20)24(30)25-13-12-18-14-26-22-5-3-2-4-21(18)22/h2-11,14-15,26,28H,12-13H2,1H3,(H,25,30).
What are the key properties of 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide?
5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109193540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).