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

C21H26N6O — CID 74230811

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H26N6O/c1-15-18(14-24-21(25-15)27-11-9-26(2)10-12-27)20(28)22-8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,13-14,23H,7-12H2,1-2H3,(H,22,28)
InChIKeyRBLSQVQOMZCJMU-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.99
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 74230811) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID74230811
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCN(C)CC2)ncc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H26N6O/c1-15-18(14-24-21(25-15)27-11-9-26(2)10-12-27)20(28)22-8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,13-14,23H,7-12H2,1-2H3,(H,22,28)
InChIKeyRBLSQVQOMZCJMU-UHFFFAOYSA-N
XLogP1.99
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-(4-methylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116156
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(1H-indol-3-yl)acetamide
CID 122357083
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-8-(4-methylpiperazin-1-yl)naphthalene-2-carboxamide
CID 22115646
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperazin-1-yl)-1H-indole-2-carboxamide
CID 21187563
N-[2-(1H-indol-3-yl)ethyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 118279425
N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104428
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774
5-(4-acetylpiperazin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 109279191
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 74230811) is N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is Cc1nc(N2CCN(C)CC2)ncc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is RBLSQVQOMZCJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-18(14-24-21(25-15)27-11-9-26(2)10-12-27)20(28)22-8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,13-14,23H,7-12H2,1-2H3,(H,22,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 74230811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).