2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

C23H23N5O — CID 109261245

IUPAC2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCCc3c[nH]c4ccccc34)cn2)c(C)c1
InChIInChI=1S/C23H23N5O/c1-15-7-8-20(16(2)11-15)28-23-26-13-18(14-27-23)22(29)24-10-9-17-12-25-21-6-4-3-5-19(17)21/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeySNYKZHMRPYGQEZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds6

About 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide

2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109261245) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID109261245
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
SMILESCc1ccc(Nc2ncc(C(=O)NCCc3c[nH]c4ccccc34)cn2)c(C)c1
InChIInChI=1S/C23H23N5O/c1-15-7-8-20(16(2)11-15)28-23-26-13-18(14-27-23)22(29)24-10-9-17-12-25-21-6-4-3-5-19(17)21/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeySNYKZHMRPYGQEZ-UHFFFAOYSA-N
XLogP4.29
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239
6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352254
N-[2-(1H-indol-3-yl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256233
N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640
2-(cyclopropylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109247506
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258682
3-N-(2,4-dimethylphenyl)-5-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112955753
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-(3,5-dimethylphenyl)-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-5-carboxamide
CID 109261299
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide (CID 109261245) is 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is Cc1ccc(Nc2ncc(C(=O)NCCc3c[nH]c4ccccc34)cn2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is SNYKZHMRPYGQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-7-8-20(16(2)11-15)28-23-26-13-18(14-27-23)22(29)24-10-9-17-12-25-21-6-4-3-5-19(17)21/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,26,27,28).
What are the key properties of 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide?
2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109261245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).