6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

C16H15ClN6O2 — CID 70215071

IUPAC6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2c(Cl)cc(Oc3ccnc(N)c3)cc2[nH]1
InChIInChI=1S/C16H15ClN6O2/c1-20-16(19)23-15(24)13-7-10-11(17)4-9(5-12(10)22-13)25-8-2-3-21-14(18)6-8/h2-7,22H,1H3,(H2,18,21)(H3,19,20,23,24)
InChIKeyORWIOXQOPYCGMH-UHFFFAOYSA-N
MW358.79 g/mol
LogP2.27
Rot. Bonds3

About 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide

6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (PubChem CID 70215071) has the molecular formula C16H15ClN6O2 and a molecular weight of 358.79 g/mol. Its IUPAC name is 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
PubChem CID70215071
Molecular FormulaC16H15ClN6O2
Molecular Weight358.79 g/mol
Exact Mass358.09
IUPAC Name6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1cc2c(Cl)cc(Oc3ccnc(N)c3)cc2[nH]1
InChIInChI=1S/C16H15ClN6O2/c1-20-16(19)23-15(24)13-7-10-11(17)4-9(5-12(10)22-13)25-8-2-3-21-14(18)6-8/h2-7,22H,1H3,(H2,18,21)(H3,19,20,23,24)
InChIKeyORWIOXQOPYCGMH-UHFFFAOYSA-N
XLogP2.27
TPSA131.41 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 ≤ 52.27
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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Related Compounds

6-[(2-amino-4-pyridinyl)oxy]-N-(N'-methylcarbamimidoyl)-4-(trifluoromethyl)-1H-indole-2-carboxamide
CID 70216378
6-(4-aminophenoxy)-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70217817
6-[4-(aminomethyl)phenoxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70215578
6-[(3-aminophenyl)methoxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216318
6-[(5-amino-3-pyridinyl)oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216713
6-[[2-(diethylaminomethyl)-4-pyridinyl]oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 70216653
7-(3-aminophenoxy)-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide;hydrochloride
CID 70214864
6-[[5-(aminomethyl)-3-pyridinyl]oxy]-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide
CID 139697400
4-chloro-N-(N'-methylcarbamimidoyl)-7-[(4-nitro-2-pyridinyl)oxy]-1H-indole-2-carboxamide
CID 70213650
6-[4-(diethylaminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-4-(trifluoromethyl)-1H-indole-2-carboxamide
CID 70215840
methyl 4-chloro-6-phenoxy-1H-indole-2-carboxylate
CID 135358602
6-[2-(aminomethyl)phenoxy]-N-(N'-methylcarbamimidoyl)-4-(trifluoromethyl)-1H-indole-2-carboxamide
CID 70218110

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide (CID 70215071) is 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is C/N=C(\N)NC(=O)c1cc2c(Cl)cc(Oc3ccnc(N)c3)cc2[nH]1.
What is the InChIKey of 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
The InChIKey is ORWIOXQOPYCGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O2/c1-20-16(19)23-15(24)13-7-10-11(17)4-9(5-12(10)22-13)25-8-2-3-21-14(18)6-8/h2-7,22H,1H3,(H2,18,21)(H3,19,20,23,24).
What are the key properties of 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide?
6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 2.27, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4-pyridinyl)oxy]-4-chloro-N-(N'-methylcarbamimidoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 70215071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).