N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide

C14H14N4O2 — CID 56933895

IUPACN'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESCOc1cccc(/N=C/NNC(=O)c2ccncc2)c1
InChIInChI=1S/C14H14N4O2/c1-20-13-4-2-3-12(9-13)16-10-17-18-14(19)11-5-7-15-8-6-11/h2-10H,1H3,(H,16,17)(H,18,19)
InChIKeyNCCIUMBAHSRIFT-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.68
Rot. Bonds5

About N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide

N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide (PubChem CID 56933895) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide.

Molecular Properties

Compound NameN'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
PubChem CID56933895
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide
SMILESCOc1cccc(/N=C/NNC(=O)c2ccncc2)c1
InChIInChI=1S/C14H14N4O2/c1-20-13-4-2-3-12(9-13)16-10-17-18-14(19)11-5-7-15-8-6-11/h2-10H,1H3,(H,16,17)(H,18,19)
InChIKeyNCCIUMBAHSRIFT-UHFFFAOYSA-N
XLogP1.68
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

1-(3-methoxyphenyl)-2-pyridin-4-ylethane-1,2-dione
CID 18704760
N'-[4-(3-methoxyanilino)-6-(pyridin-2-ylamino)-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide
CID 71591709
1-(3-methoxyphenyl)-3-pyridin-4-ylbut-2-en-1-one
CID 86237720
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 139085490
N-[bis(4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 24839653
N'-[1-(2,5-dimethoxyphenyl)ethenyl]pyridine-4-carbohydrazide
CID 5004887
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
[3-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 4566791
N-[(5-methoxy-1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
CID 67710095
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 6033190

Frequently Asked Questions

What is the IUPAC name of N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The IUPAC name of N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide (CID 56933895) is N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide.
What is the SMILES notation for N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The canonical SMILES for N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide is COc1cccc(/N=C/NNC(=O)c2ccncc2)c1.
What is the InChIKey of N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
The InChIKey is NCCIUMBAHSRIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-20-13-4-2-3-12(9-13)16-10-17-18-14(19)11-5-7-15-8-6-11/h2-10H,1H3,(H,16,17)(H,18,19).
What are the key properties of N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide?
N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide has a molecular weight of 270.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methoxyphenyl)-N-(pyridine-4-carbonylamino)methanimidamide is sourced from PubChem (CID 56933895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).