7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide

C16H15ClN6O2 — CID 54461079

IUPAC7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide
SMILES[H]/N=C(\N)N(C)C(=O)c1cc2c(Cl)ccc(Oc3ccnc(N)c3)c2[nH]1
InChIInChI=1S/C16H15ClN6O2/c1-23(16(19)20)15(24)11-7-9-10(17)2-3-12(14(9)22-11)25-8-4-5-21-13(18)6-8/h2-7,22H,1H3,(H2,18,21)(H3,19,20)
InChIKeyXBRBWYMGTIAICR-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.56
Rot. Bonds3

About 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide

7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide (PubChem CID 54461079) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide
PubChem CID54461079
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide
SMILES[H]/N=C(\N)N(C)C(=O)c1cc2c(Cl)ccc(Oc3ccnc(N)c3)c2[nH]1
InChIInChI=1S/C16H15ClN6O2/c1-23(16(19)20)15(24)11-7-9-10(17)2-3-12(14(9)22-11)25-8-4-5-21-13(18)6-8/h2-7,22H,1H3,(H2,18,21)(H3,19,20)
InChIKeyXBRBWYMGTIAICR-UHFFFAOYSA-N
XLogP2.56
TPSA134.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide (CID 54461079) is 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide is [H]/N=C(\N)N(C)C(=O)c1cc2c(Cl)ccc(Oc3ccnc(N)c3)c2[nH]1.
What is the InChIKey of 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide?
The InChIKey is XBRBWYMGTIAICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-23(16(19)20)15(24)11-7-9-10(17)2-3-12(14(9)22-11)25-8-4-5-21-13(18)6-8/h2-7,22H,1H3,(H2,18,21)(H3,19,20).
What are the key properties of 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide?
7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.56, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-amino-4-pyridinyl)oxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 54461079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).