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

C23H23N5O — CID 109352258

IUPAC6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1cc(C(=O)NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C23H23N5O/c1-15-6-5-7-16(2)22(15)28-21-12-20(26-14-27-21)23(29)24-11-10-17-13-25-19-9-4-3-8-18(17)19/h3-9,12-14,25H,10-11H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyIZDXLGXRDHVRKX-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds6

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

6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (PubChem CID 109352258) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
PubChem CID109352258
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1Nc1cc(C(=O)NCCc2c[nH]c3ccccc23)ncn1
InChIInChI=1S/C23H23N5O/c1-15-6-5-7-16(2)22(15)28-21-12-20(26-14-27-21)23(29)24-11-10-17-13-25-19-9-4-3-8-18(17)19/h3-9,12-14,25H,10-11H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyIZDXLGXRDHVRKX-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-(2,4-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109352254
6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724
N-[2-(1H-indol-3-yl)ethyl]-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346800
N-[2-(1H-indol-3-yl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109352281
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350146
N-[2-(1H-indol-3-yl)ethyl]-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349573
6-(2,6-dimethylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109354537
6-(2,6-dimethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347441
N-cyclohexyl-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109342013
5-(2,5-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109285640
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109372716
6-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridazine-3-carboxamide
CID 109123298

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide (CID 109352258) is 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is Cc1cccc(C)c1Nc1cc(C(=O)NCCc2c[nH]c3ccccc23)ncn1.
What is the InChIKey of 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
The InChIKey is IZDXLGXRDHVRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-6-5-7-16(2)22(15)28-21-12-20(26-14-27-21)23(29)24-11-10-17-13-25-19-9-4-3-8-18(17)19/h3-9,12-14,25H,10-11H2,1-2H3,(H,24,29)(H,26,27,28).
What are the key properties of 6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide?
6-(2,6-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-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109352258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).