N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide

C15H13ClN4O2 — CID 4586303

IUPACN-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C15H13ClN4O2/c1-21-14-6-7-18-15(13(14)8-17)19-10-20-22-9-11-2-4-12(16)5-3-11/h2-7,10H,9H2,1H3,(H,18,19,20)
InChIKeyLSGZNFYSHVXPEG-UHFFFAOYSA-N
MW316.75 g/mol
LogP3.00
Rot. Bonds6

About N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide

N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide (PubChem CID 4586303) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide
PubChem CID4586303
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide
SMILESCOc1ccnc(/N=C/NOCc2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C15H13ClN4O2/c1-21-14-6-7-18-15(13(14)8-17)19-10-20-22-9-11-2-4-12(16)5-3-11/h2-7,10H,9H2,1H3,(H,18,19,20)
InChIKeyLSGZNFYSHVXPEG-UHFFFAOYSA-N
XLogP3.00
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(4-Chloranyl-3-methoxy-phenyl)pyridin-2-amine
CID 104877339
2-[(4-Chlorobenzyl)amino]-4-methoxynicotinonitrile
CID 1474323
N-(3-cyano-4-methoxy-2-pyridinyl)-N'-{[3-(trifluoromethyl)benzyl]oxy}iminoformamide
CID 3276507
N-[(2-chloro-4-fluorophenyl)methoxy]-N'-(3-cyano-4-methoxypyridin-2-yl)methanimidamide
CID 3759115
N-{5-Chloro-3-[(E)-2-(4-methoxy-phenyl)-vinyl]-pyridin-2-yl}-guanidine
CID 44298507
2-[2-(4-Chlorophenoxy)ethylamino]pyridine-3-carbonitrile
CID 9465080
N-(3-cyano-4-methoxy-2-pyridinyl)-N'-[(2,3-dichlorobenzyl)oxy]iminoformamide
CID 3755891
N-(3-cyano-4-methoxy-2-pyridinyl)-N'-[(4-methylbenzyl)oxy]iminoformamide
CID 3762372
4-(Benzyloxy)pyridin-2-amine
CID 520084
N-(3-cyano-4-methoxy-2-pyridinyl)-N'-{2-[3-(trifluoromethyl)phenoxy]ethoxy}iminoformamide
CID 3806233
2-{2-[(1E)-{[(2-chloro-6-fluorophenyl)methoxy]imino}methyl]-1H-pyrrol-1-yl}-4-methoxypyridine-3-carbonitrile
CID 9659231
6-[(2-Methoxyphenyl)methylamino]pyridine-3-carbonitrile
CID 24706964

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide (CID 4586303) is N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide is COc1ccnc(/N=C/NOCc2ccc(Cl)cc2)c1C#N.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide?
The InChIKey is LSGZNFYSHVXPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-21-14-6-7-18-15(13(14)8-17)19-10-20-22-9-11-2-4-12(16)5-3-11/h2-7,10H,9H2,1H3,(H,18,19,20).
What are the key properties of N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide?
N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide has a molecular weight of 316.75 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-N'-(3-cyano-4-methoxy-2-pyridinyl)methanimidamide is sourced from PubChem (CID 4586303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).