1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide

C26H26N6O2 — CID 55873164

IUPAC1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)cc2ccccc21
InChIInChI=1S/C26H26N6O2/c1-30-22-6-3-2-5-20(22)18-23(30)25(34)29-21-9-7-19(8-10-21)17-24(33)31-13-15-32(16-14-31)26-27-11-4-12-28-26/h2-12,18H,13-17H2,1H3,(H,29,34)
InChIKeyBWKDKTPRSRDJKO-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.11
Rot. Bonds5

About 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide

1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide (PubChem CID 55873164) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide
PubChem CID55873164
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)cc2ccccc21
InChIInChI=1S/C26H26N6O2/c1-30-22-6-3-2-5-20(22)18-23(30)25(34)29-21-9-7-19(8-10-21)17-24(33)31-13-15-32(16-14-31)26-27-11-4-12-28-26/h2-12,18H,13-17H2,1H3,(H,29,34)
InChIKeyBWKDKTPRSRDJKO-UHFFFAOYSA-N
XLogP3.11
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]naphthalene-2-carboxamide
CID 55647098
methyl 5-[[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]carbamoyl]thiophene-2-carboxylate
CID 55647068
6-(dimethylamino)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridazine-3-carboxamide
CID 56511736
3-(4-methoxyphenyl)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55647017
1-methyl-N-(4-piperidin-1-ylphenyl)indole-2-carboxamide
CID 60527502
2-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110766851
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593
2-(4-ethoxyphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17249493
2-(4-methoxyphenyl)sulfanyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55873034
(E)-3-(1,3-benzothiazol-2-yl)-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]prop-2-enamide
CID 55672885
3-(2-fluorophenyl)sulfanyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]propanamide
CID 55672835
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-phenylacetamide
CID 9243504

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide (CID 55873164) is 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide is Cn1c(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide?
The InChIKey is BWKDKTPRSRDJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-30-22-6-3-2-5-20(22)18-23(30)25(34)29-21-9-7-19(8-10-21)17-24(33)31-13-15-32(16-14-31)26-27-11-4-12-28-26/h2-12,18H,13-17H2,1H3,(H,29,34).
What are the key properties of 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide?
1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]indole-2-carboxamide is sourced from PubChem (CID 55873164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).