2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide

C23H28N6O2 — CID 59189887

IUPAC2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
SMILESCN1CCC(NCc2cccc(-c3ccc4c(C(N)=O)c(NC(N)=O)[nH]c4c3)c2)CC1
InChIInChI=1S/C23H28N6O2/c1-29-9-7-17(8-10-29)26-13-14-3-2-4-15(11-14)16-5-6-18-19(12-16)27-22(28-23(25)31)20(18)21(24)30/h2-6,11-12,17,26-27H,7-10,13H2,1H3,(H2,24,30)(H3,25,28,31)
InChIKeyJJDRGUISJKGNIR-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.61
Rot. Bonds6

About 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide

2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide (PubChem CID 59189887) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
PubChem CID59189887
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
SMILESCN1CCC(NCc2cccc(-c3ccc4c(C(N)=O)c(NC(N)=O)[nH]c4c3)c2)CC1
InChIInChI=1S/C23H28N6O2/c1-29-9-7-17(8-10-29)26-13-14-3-2-4-15(11-14)16-5-6-18-19(12-16)27-22(28-23(25)31)20(18)21(24)30/h2-6,11-12,17,26-27H,7-10,13H2,1H3,(H2,24,30)(H3,25,28,31)
InChIKeyJJDRGUISJKGNIR-UHFFFAOYSA-N
XLogP2.61
TPSA129.27 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide (CID 59189887) is 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide is CN1CCC(NCc2cccc(-c3ccc4c(C(N)=O)c(NC(N)=O)[nH]c4c3)c2)CC1.
What is the InChIKey of 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide?
The InChIKey is JJDRGUISJKGNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-29-9-7-17(8-10-29)26-13-14-3-2-4-15(11-14)16-5-6-18-19(12-16)27-22(28-23(25)31)20(18)21(24)30/h2-6,11-12,17,26-27H,7-10,13H2,1H3,(H2,24,30)(H3,25,28,31).
What are the key properties of 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.61, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 59189887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).