4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

C22H28N4O2 — CID 137282027

IUPAC4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC1(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)COC1
InChIInChI=1S/C22H28N4O2/c1-22(13-28-14-22)15-7-9-17(10-8-15)26-20(23)19-18(11-12-24-21(19)27)25-16-5-3-2-4-6-16/h7-12,16H,2-6,13-14H2,1H3,(H2,23,26)(H2,24,25,27)
InChIKeyJMOQGIZOUCWNSS-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.44
Rot. Bonds5

About 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282027) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282027
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC1(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)COC1
InChIInChI=1S/C22H28N4O2/c1-22(13-28-14-22)15-7-9-17(10-8-15)26-20(23)19-18(11-12-24-21(19)27)25-16-5-3-2-4-6-16/h7-12,16H,2-6,13-14H2,1H3,(H2,23,26)(H2,24,25,27)
InChIKeyJMOQGIZOUCWNSS-UHFFFAOYSA-N
XLogP3.44
TPSA92.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(cyclohexylamino)-2-[N'-[4-(1-fluoro-2-methylpropan-2-yl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176775
4-[[(3R)-oxan-3-yl]amino]-2-oxo-N'-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyridine-3-carboximidamide
CID 137288768
N'-[4-[1-(tert-butylamino)-2,2,2-trifluoroethyl]phenyl]-4-[(3-fluorooxan-4-yl)amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 137288773
4-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-N'-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]-1H-pyridine-3-carboximidamide
CID 144713157
(E)-3-[(4-cyanooxan-3-yl)amino]-2-[N'-[4-(3-methyloxetan-3-yl)phenyl]carbamimidoyl]prop-2-enamide
CID 137208751
4-(cyclohexylamino)-N'-[4-(3-hydroxyoxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137281943
4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide
CID 137282006
N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 137282162
N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 137282187
formonitrile;(E)-2-[N'-[4-(3-methyloxetan-3-yl)phenyl]carbamimidoyl]-3-(oxan-3-ylamino)prop-2-enamide
CID 144556658
4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;formonitrile
CID 144713018
4-amino-2-oxo-N'-(4-propan-2-ylphenyl)-1H-pyridine-3-carboximidamide
CID 144713086

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 137282027) is 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is CC1(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)COC1.
What is the InChIKey of 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is JMOQGIZOUCWNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-22(13-28-14-22)15-7-9-17(10-8-15)26-20(23)19-18(11-12-24-21(19)27)25-16-5-3-2-4-6-16/h7-12,16H,2-6,13-14H2,1H3,(H2,23,26)(H2,24,25,27).
What are the key properties of 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 380.49 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N'-[4-(3-methyloxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).