N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide

C17H22N6O — CID 167746332

IUPACN-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2ccc(NCc3cnc(NC)nc3)cc21
InChIInChI=1S/C17H22N6O/c1-3-19-17(24)23-7-6-13-4-5-14(8-15(13)23)20-9-12-10-21-16(18-2)22-11-12/h4-5,8,10-11,20H,3,6-7,9H2,1-2H3,(H,19,24)(H,18,21,22)
InChIKeyQBRYXHMESRBXCQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.22
Rot. Bonds5

About N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide

N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide (PubChem CID 167746332) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide
PubChem CID167746332
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide
SMILESCCNC(=O)N1CCc2ccc(NCc3cnc(NC)nc3)cc21
InChIInChI=1S/C17H22N6O/c1-3-19-17(24)23-7-6-13-4-5-14(8-15(13)23)20-9-12-10-21-16(18-2)22-11-12/h4-5,8,10-11,20H,3,6-7,9H2,1-2H3,(H,19,24)(H,18,21,22)
InChIKeyQBRYXHMESRBXCQ-UHFFFAOYSA-N
XLogP2.22
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide (CID 167746332) is N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide is CCNC(=O)N1CCc2ccc(NCc3cnc(NC)nc3)cc21.
What is the InChIKey of N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide?
The InChIKey is QBRYXHMESRBXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-3-19-17(24)23-7-6-13-4-5-14(8-15(13)23)20-9-12-10-21-16(18-2)22-11-12/h4-5,8,10-11,20H,3,6-7,9H2,1-2H3,(H,19,24)(H,18,21,22).
What are the key properties of N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide?
N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[2-(methylamino)pyrimidin-5-yl]methylamino]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 167746332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).