N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide

C21H26N6O — CID 11538129

IUPACN-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2ncc(C)c(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
InChIKeyUGZLJUFPCPHHSW-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.54
Rot. Bonds4

About N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide

N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide (PubChem CID 11538129) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide
PubChem CID11538129
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(Nc2ncc(C)c(-c3c[nH]c4ccccc34)n2)CC1
InChIInChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26)
InChIKeyUGZLJUFPCPHHSW-UHFFFAOYSA-N
XLogP3.54
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide (CID 11538129) is N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide is CCNC(=O)N1CCC(Nc2ncc(C)c(-c3c[nH]c4ccccc34)n2)CC1.
What is the InChIKey of N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide?
The InChIKey is UGZLJUFPCPHHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-3-22-21(28)27-10-8-15(9-11-27)25-20-24-12-14(2)19(26-20)17-13-23-18-7-5-4-6-16(17)18/h4-7,12-13,15,23H,3,8-11H2,1-2H3,(H,22,28)(H,24,25,26).
What are the key properties of N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide?
N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[4-(1H-indol-3-yl)-5-methylpyrimidin-2-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 11538129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).