2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide

C31H30N4O — CID 53385012

IUPAC2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide
SMILESCCCc1ccc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2N(C)c2cccnc2)cc1
InChIInChI=1S/C31H30N4O/c1-3-7-22-11-13-23(14-12-22)28-19-25(15-16-30(28)35(2)26-8-6-17-32-21-26)34-31(36)18-24-20-33-29-10-5-4-9-27(24)29/h4-6,8-17,19-21,33H,3,7,18H2,1-2H3,(H,34,36)
InChIKeySQGQABUTURJSHM-UHFFFAOYSA-N
MW474.61 g/mol
LogP7.13
Rot. Bonds8

About 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide

2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide (PubChem CID 53385012) has the molecular formula C31H30N4O and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide
PubChem CID53385012
Molecular FormulaC31H30N4O
Molecular Weight474.61 g/mol
Exact Mass474.24
IUPAC Name2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide
SMILESCCCc1ccc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2N(C)c2cccnc2)cc1
InChIInChI=1S/C31H30N4O/c1-3-7-22-11-13-23(14-12-22)28-19-25(15-16-30(28)35(2)26-8-6-17-32-21-26)34-31(36)18-24-20-33-29-10-5-4-9-27(24)29/h4-6,8-17,19-21,33H,3,7,18H2,1-2H3,(H,34,36)
InChIKeySQGQABUTURJSHM-UHFFFAOYSA-N
XLogP7.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 46400273
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
2-(1H-indol-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671729
2-(1H-indol-3-yl)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 71799748
N-[3-(3-chloro-4-fluorophenyl)-4-(pyridin-3-ylamino)phenyl]-2-(1H-indol-3-yl)acetamide;2,2,2-trifluoroacetic acid
CID 53385127
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
2-(1H-indol-3-yl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 38738127
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide (CID 53385012) is 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide is CCCc1ccc(-c2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2N(C)c2cccnc2)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide?
The InChIKey is SQGQABUTURJSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O/c1-3-7-22-11-13-23(14-12-22)28-19-25(15-16-30(28)35(2)26-8-6-17-32-21-26)34-31(36)18-24-20-33-29-10-5-4-9-27(24)29/h4-6,8-17,19-21,33H,3,7,18H2,1-2H3,(H,34,36).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide?
2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide has a molecular weight of 474.61 g/mol, XLogP of 7.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[4-[methyl(pyridin-3-yl)amino]-3-(4-propylphenyl)phenyl]acetamide is sourced from PubChem (CID 53385012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).