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

C24H23N5O — CID 109309678

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCC1Cc2ccccc2N1c1nccc(C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C24H23N5O/c1-16-14-17-6-2-5-9-22(17)29(16)24-26-13-11-21(28-24)23(30)25-12-10-18-15-27-20-8-4-3-7-19(18)20/h2-9,11,13,15-16,27H,10,12,14H2,1H3,(H,25,30)
InChIKeyKIVWYAOZUHOWDN-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.01
Rot. Bonds5

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

N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109309678) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109309678
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCC1Cc2ccccc2N1c1nccc(C(=O)NCCc2c[nH]c3ccccc23)n1
InChIInChI=1S/C24H23N5O/c1-16-14-17-6-2-5-9-22(17)29(16)24-26-13-11-21(28-24)23(30)25-12-10-18-15-27-20-8-4-3-7-19(18)20/h2-9,11,13,15-16,27H,10,12,14H2,1H3,(H,25,30)
InChIKeyKIVWYAOZUHOWDN-UHFFFAOYSA-N
XLogP4.01
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112922431
2-(diethylamino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309635
N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109316683
N-[2-(2-fluorophenyl)ethyl]-4-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109214008
N-[2-(1H-indol-3-yl)ethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2109632
2-(2,6-difluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 109309683
N-[2-(1H-indol-3-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203848
N-[2-(1H-indol-3-yl)ethyl]-1-methylimidazole-4-carboxamide
CID 103803030
N-[2-(1H-indol-3-yl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691403
N-[2-(dimethylamino)ethyl]-2-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109301265
N-[2-(1H-indol-3-yl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853427
N-[2-(1H-indol-3-yl)ethyl]-1-methyltriazole-4-carboxamide
CID 45497188

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109309678) is N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is CC1Cc2ccccc2N1c1nccc(C(=O)NCCc2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is KIVWYAOZUHOWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-14-17-6-2-5-9-22(17)29(16)24-26-13-11-21(28-24)23(30)25-12-10-18-15-27-20-8-4-3-7-19(18)20/h2-9,11,13,15-16,27H,10,12,14H2,1H3,(H,25,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 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-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109309678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).