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

C23H23N5O — CID 109372716

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)nc(C)n2)c1
InChIInChI=1S/C23H23N5O/c1-15-6-5-7-18(12-15)28-22-13-21(26-16(2)27-22)23(29)24-11-10-17-14-25-20-9-4-3-8-19(17)20/h3-9,12-14,25H,10-11H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyASYUTEFAOMTFPE-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.29
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109372716) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109372716
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)nc(C)n2)c1
InChIInChI=1S/C23H23N5O/c1-15-6-5-7-18(12-15)28-22-13-21(26-16(2)27-22)23(29)24-11-10-17-14-25-20-9-4-3-8-19(17)20/h3-9,12-14,25H,10-11H2,1-2H3,(H,24,29)(H,26,27,28)
InChIKeyASYUTEFAOMTFPE-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

Analyze N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,6-dimethylanilino)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372724
6-[2-(1H-indol-3-yl)ethylamino]-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369044
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109055667
2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846602
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372692
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]pyrimidine-4-carboxamide
CID 109352258
N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109370162
N-[2-(1H-indol-3-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109215332
N-[2-(1H-indol-3-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118252

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide (CID 109372716) is N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)NCCc3c[nH]c4ccccc34)nc(C)n2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is ASYUTEFAOMTFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-6-5-7-18(12-15)28-22-13-21(26-16(2)27-22)23(29)24-11-10-17-14-25-20-9-4-3-8-19(17)20/h3-9,12-14,25H,10-11H2,1-2H3,(H,24,29)(H,26,27,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)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 N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109372716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).