2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide

C19H20N6O3 — CID 59189714

IUPAC2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3cccc(N4CCOCC4)n3)ccc2c1C(N)=O
InChIInChI=1S/C19H20N6O3/c20-17(26)16-12-5-4-11(10-14(12)23-18(16)24-19(21)27)13-2-1-3-15(22-13)25-6-8-28-9-7-25/h1-5,10,23H,6-9H2,(H2,20,26)(H3,21,24,27)
InChIKeyWZLHQXPVUSSVQB-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.66
Rot. Bonds4

About 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide

2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide (PubChem CID 59189714) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide
PubChem CID59189714
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide
SMILESNC(=O)Nc1[nH]c2cc(-c3cccc(N4CCOCC4)n3)ccc2c1C(N)=O
InChIInChI=1S/C19H20N6O3/c20-17(26)16-12-5-4-11(10-14(12)23-18(16)24-19(21)27)13-2-1-3-15(22-13)25-6-8-28-9-7-25/h1-5,10,23H,6-9H2,(H2,20,26)(H3,21,24,27)
InChIKeyWZLHQXPVUSSVQB-UHFFFAOYSA-N
XLogP1.66
TPSA139.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide (CID 59189714) is 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide is NC(=O)Nc1[nH]c2cc(-c3cccc(N4CCOCC4)n3)ccc2c1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide?
The InChIKey is WZLHQXPVUSSVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c20-17(26)16-12-5-4-11(10-14(12)23-18(16)24-19(21)27)13-2-1-3-15(22-13)25-6-8-28-9-7-25/h1-5,10,23H,6-9H2,(H2,20,26)(H3,21,24,27).
What are the key properties of 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide?
2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.66, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-6-(6-morpholin-4-yl-2-pyridinyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 59189714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).