N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide

C18H20Cl2N4O2 — CID 22123188

IUPACN-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\c1ccc(OC)c(OC2CCCC2)c1)N(N)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H20Cl2N4O2/c1-25-15-7-6-11(8-16(15)26-12-4-2-3-5-12)18(21)24(22)17-13(19)9-23-10-14(17)20/h6-10,12,21H,2-5,22H2,1H3/b21-18+
InChIKeyBPYIXKONQAVIRF-DYTRJAOYSA-N
MW395.29 g/mol
LogP4.42
Rot. Bonds5

About N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide

N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide (PubChem CID 22123188) has the molecular formula C18H20Cl2N4O2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide
PubChem CID22123188
Molecular FormulaC18H20Cl2N4O2
Molecular Weight395.29 g/mol
Exact Mass394.10
IUPAC NameN-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\c1ccc(OC)c(OC2CCCC2)c1)N(N)c1c(Cl)cncc1Cl
InChIInChI=1S/C18H20Cl2N4O2/c1-25-15-7-6-11(8-16(15)26-12-4-2-3-5-12)18(21)24(22)17-13(19)9-23-10-14(17)20/h6-10,12,21H,2-5,22H2,1H3/b21-18+
InChIKeyBPYIXKONQAVIRF-DYTRJAOYSA-N
XLogP4.42
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide?
The IUPAC name of N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide (CID 22123188) is N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide.
What is the SMILES notation for N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide?
The canonical SMILES for N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide is [H]/N=C(\c1ccc(OC)c(OC2CCCC2)c1)N(N)c1c(Cl)cncc1Cl.
What is the InChIKey of N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide?
The InChIKey is BPYIXKONQAVIRF-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N4O2/c1-25-15-7-6-11(8-16(15)26-12-4-2-3-5-12)18(21)24(22)17-13(19)9-23-10-14(17)20/h6-10,12,21H,2-5,22H2,1H3/b21-18+.
What are the key properties of N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide?
N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide has a molecular weight of 395.29 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 22123188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).