N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

C16H23ClN4O — CID 25156218

IUPACN'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)c(OCCCC(C)C)nc1C#N
InChIInChI=1S/C16H23ClN4O/c1-5-21(4)11-19-14-9-13(17)16(20-15(14)10-18)22-8-6-7-12(2)3/h9,11-12H,5-8H2,1-4H3/b19-11+
InChIKeyHNVNWFBBSRWCKE-YBFXNURJSA-N
MW322.84 g/mol
LogP4.03
Rot. Bonds8

About N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide

N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 25156218) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
PubChem CID25156218
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)c(OCCCC(C)C)nc1C#N
InChIInChI=1S/C16H23ClN4O/c1-5-21(4)11-19-14-9-13(17)16(20-15(14)10-18)22-8-6-7-12(2)3/h9,11-12H,5-8H2,1-4H3/b19-11+
InChIKeyHNVNWFBBSRWCKE-YBFXNURJSA-N
XLogP4.03
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide (CID 25156218) is N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Cl)c(OCCCC(C)C)nc1C#N.
What is the InChIKey of N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is HNVNWFBBSRWCKE-YBFXNURJSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-5-21(4)11-19-14-9-13(17)16(20-15(14)10-18)22-8-6-7-12(2)3/h9,11-12H,5-8H2,1-4H3/b19-11+.
What are the key properties of N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide?
N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 322.84 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-chloro-2-cyano-6-(4-methylpentoxy)-3-pyridinyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 25156218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).