6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide

C23H23N5O — CID 109352254

IUPAC6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ncn2)c(C)c1
InChIInChI=1S/C23H23N5O/c1-15-7-8-19(16(2)11-15)28-22-12-21(26-14-27-22)23(29)24-10-9-17-13-25-20-6-4-3-5-18(17)20/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyVCGZLCZIIXHSBI-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds6

About 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide

6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109352254) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID109352254
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ncn2)c(C)c1
InChIInChI=1S/C23H23N5O/c1-15-7-8-19(16(2)11-15)28-22-12-21(26-14-27-22)23(29)24-10-9-17-13-25-20-6-4-3-5-18(17)20/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyVCGZLCZIIXHSBI-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

6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352258
N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109352281
2-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 109261245
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349573
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
3-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 109027411
N-[2-(1H-indol-3-yl)ethyl]-6-(2-methylanilino)pyridine-3-carboxamide
CID 109159746
N-(2,4-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethylamino]pyridine-2-carboxamide
CID 109215351
3-N-(2,4-dimethylphenyl)-5-N-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112955753
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (CID 109352254) is 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ncn2)c(C)c1.
What is the InChIKey of 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is VCGZLCZIIXHSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-7-8-19(16(2)11-15)28-22-12-21(26-14-27-22)23(29)24-10-9-17-13-25-20-6-4-3-5-18(17)20/h3-8,11-14,25H,9-10H2,1-2H3,(H,24,29)(H,26,27,28).
What are the key properties of 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-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 6-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109352254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).