4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide

C23H31N5O — CID 137282006

IUPAC4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(C2CCNCC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C23H31N5O/c24-22(28-19-8-6-16(7-9-19)17-10-13-25-14-11-17)21-20(12-15-26-23(21)29)27-18-4-2-1-3-5-18/h6-9,12,15,17-18,25H,1-5,10-11,13-14H2,(H2,24,28)(H2,26,27,29)
InChIKeyGHLWSTKTGFDXFM-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.62
Rot. Bonds5

About 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide

4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide (PubChem CID 137282006) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide
PubChem CID137282006
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide
SMILESN/C(=N\c1ccc(C2CCNCC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O
InChIInChI=1S/C23H31N5O/c24-22(28-19-8-6-16(7-9-19)17-10-13-25-14-11-17)21-20(12-15-26-23(21)29)27-18-4-2-1-3-5-18/h6-9,12,15,17-18,25H,1-5,10-11,13-14H2,(H2,24,28)(H2,26,27,29)
InChIKeyGHLWSTKTGFDXFM-UHFFFAOYSA-N
XLogP3.62
TPSA95.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.62
H-Bond Donors ≤ 54
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

3-({3-[(4-isopropylphenyl)amino]-1-piperidinyl}carbonyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 24817289
2-(2-{[1-(3'-fluoro-4-biphenylyl)-4-piperidinyl]amino}ethyl)-6-methyl-4(3H)-pyrimidinone
CID 135879896
N'-[3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl]-4-[[(1S,2S)-2-cyanocyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 136950928
4-(cyclohexylamino)-2-oxo-N'-[4-(2,2,2-trifluoroethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137152937
N'-[4-(1-amino-2,2,2-trifluoroethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 137156300
1-acetyl-N'-[4-(3,4-difluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161575
1-acetyl-N'-[4-(2,5-difluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161577
1-acetyl-N'-[4-(4-fluorophenyl)phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161590
1-acetyl-4-(cyclopropylmethylamino)-N'-[4-(4-fluorophenyl)phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161657
(E)-3-(cyclohexylamino)-2-[N'-[4-(2,2,2-trifluoroethyl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176685
(E)-3-(cyclohexylamino)-2-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176703
(E)-3-[[(1S,2S,4R)-4-(cyclopropylamino)-2-methylcyclohexyl]amino]-2-[N'-[4-(trifluoromethyl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176741

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide (CID 137282006) is 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide is N/C(=N\c1ccc(C2CCNCC2)cc1)c1c(NC2CCCCC2)cc[nH]c1=O.
What is the InChIKey of 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide?
The InChIKey is GHLWSTKTGFDXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c24-22(28-19-8-6-16(7-9-19)17-10-13-25-14-11-17)21-20(12-15-26-23(21)29)27-18-4-2-1-3-5-18/h6-9,12,15,17-18,25H,1-5,10-11,13-14H2,(H2,24,28)(H2,26,27,29).
What are the key properties of 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide has a molecular weight of 393.54 g/mol, XLogP of 3.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-2-oxo-N'-(4-piperidin-4-ylphenyl)-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).