5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide

C19H22N6O3 — CID 75037926

IUPAC5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide
SMILESCON=Cc1c(N)ncnc1Oc1ccc2c(c1)cc(C)n2C(=O)NC(C)C
InChIInChI=1S/C19H22N6O3/c1-11(2)24-19(26)25-12(3)7-13-8-14(5-6-16(13)25)28-18-15(9-23-27-4)17(20)21-10-22-18/h5-11H,1-4H3,(H,24,26)(H2,20,21,22)
InChIKeyBXDFMZXNMBGTLR-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.06
Rot. Bonds5

About 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide

5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide (PubChem CID 75037926) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide.

Molecular Properties

Compound Name5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide
PubChem CID75037926
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide
SMILESCON=Cc1c(N)ncnc1Oc1ccc2c(c1)cc(C)n2C(=O)NC(C)C
InChIInChI=1S/C19H22N6O3/c1-11(2)24-19(26)25-12(3)7-13-8-14(5-6-16(13)25)28-18-15(9-23-27-4)17(20)21-10-22-18/h5-11H,1-4H3,(H,24,26)(H2,20,21,22)
InChIKeyBXDFMZXNMBGTLR-UHFFFAOYSA-N
XLogP3.06
TPSA116.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide?
The IUPAC name of 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide (CID 75037926) is 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide.
What is the SMILES notation for 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide?
The canonical SMILES for 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide is CON=Cc1c(N)ncnc1Oc1ccc2c(c1)cc(C)n2C(=O)NC(C)C.
What is the InChIKey of 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide?
The InChIKey is BXDFMZXNMBGTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-11(2)24-19(26)25-12(3)7-13-8-14(5-6-16(13)25)28-18-15(9-23-27-4)17(20)21-10-22-18/h5-11H,1-4H3,(H,24,26)(H2,20,21,22).
What are the key properties of 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide?
5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-2-methyl-N-propan-2-ylindole-1-carboxamide is sourced from PubChem (CID 75037926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).