N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide

C23H29ClFN5O — CID 137282205

IUPACN'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC(NC1CCC(Nc2cc[nH]c(=O)c2/C(N)=N/c2ccc(Cl)c(F)c2)CC1)C1CC1
InChIInChI=1S/C23H29ClFN5O/c1-13(14-2-3-14)28-15-4-6-16(7-5-15)29-20-10-11-27-23(31)21(20)22(26)30-17-8-9-18(24)19(25)12-17/h8-16,28H,2-7H2,1H3,(H2,26,30)(H2,27,29,31)
InChIKeyMUZDJQLFLZSZJG-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.32
Rot. Bonds7

About N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide

N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282205) has the molecular formula C23H29ClFN5O and a molecular weight of 445.97 g/mol. Its IUPAC name is N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282205
Molecular FormulaC23H29ClFN5O
Molecular Weight445.97 g/mol
Exact Mass445.20
IUPAC NameN'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC(NC1CCC(Nc2cc[nH]c(=O)c2/C(N)=N/c2ccc(Cl)c(F)c2)CC1)C1CC1
InChIInChI=1S/C23H29ClFN5O/c1-13(14-2-3-14)28-15-4-6-16(7-5-15)29-20-10-11-27-23(31)21(20)22(26)30-17-8-9-18(24)19(25)12-17/h8-16,28H,2-7H2,1H3,(H2,26,30)(H2,27,29,31)
InChIKeyMUZDJQLFLZSZJG-UHFFFAOYSA-N
XLogP4.32
TPSA95.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.32
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'}

Analyze N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-[N'-(4-chlorophenyl)carbamimidoyl]-3-[[(1S,2S,4S)-2-cyano-4-[[1-(trifluoromethyl)cyclopropyl]amino]cyclohexyl]amino]prop-2-enamide
CID 137176711
(E)-2-[N'-(4-chlorophenyl)carbamimidoyl]-3-[[(1S,4R)-2-cyano-4-(2,2,2-trifluoroethylamino)cyclohexyl]amino]prop-2-enamide
CID 137176768
(E)-2-[N'-(4-chloro-3-fluorophenyl)carbamimidoyl]-3-[[(1S,2S,4S)-2-cyano-4-(2,2-difluoroethylamino)cyclohexyl]amino]prop-2-enamide
CID 137176771
(E)-3-[[(1S,2S,4S)-4-(azetidin-1-yl)-2-cyanocyclohexyl]amino]-2-[N'-(4-chloro-3-fluorophenyl)carbamimidoyl]prop-2-enamide
CID 137176803
(E)-N'-(4-chloro-3-fluorophenyl)-3-(cyclohexylamino)-2-formylprop-2-enimidamide
CID 137176804
4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-N'-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137282005
N'-(4-chloro-3-fluorophenyl)-4-[[(1S,2S,4R)-2-cyano-4-[[(1S)-1-cyclopropylethyl]amino]cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 137282204
(E)-3-[[(1S,2S,4R)-2-(2H-azirin-3-yl)-4-[[1-(trifluoromethyl)cyclopropyl]amino]cyclohexyl]amino]-2-[N'-(4-chlorophenyl)carbamimidoyl]prop-2-enamide
CID 144556278
(E)-2-[N'-(4-chlorophenyl)carbamimidoyl]-3-[(2-cyanocyclohexyl)amino]prop-2-enamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)formamide;ethane
CID 144556310
4-[[(1S,2S,4S)-4-(azetidin-1-yl)-2-cyanocyclohexyl]amino]-N'-(4-chloro-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboximidamide
CID 144712685
[(1S,2S,5R)-2-[[(E)-3-amino-2-carbamoyl-3-(4-chlorophenyl)iminoprop-1-enyl]amino]-5-[[1-(trifluoromethyl)cyclopropyl]amino]cyclohexyl]-methylidyneazanium
CID 158424625
(E)-2-[N'-(4-chlorophenyl)carbamimidoyl]-3-[[(1S,2S,4S)-2-cyano-4-(dimethylamino)cyclohexyl]amino]prop-2-enamide
CID 137176663

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide (CID 137282205) is N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide is CC(NC1CCC(Nc2cc[nH]c(=O)c2/C(N)=N/c2ccc(Cl)c(F)c2)CC1)C1CC1.
What is the InChIKey of N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is MUZDJQLFLZSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClFN5O/c1-13(14-2-3-14)28-15-4-6-16(7-5-15)29-20-10-11-27-23(31)21(20)22(26)30-17-8-9-18(24)19(25)12-17/h8-16,28H,2-7H2,1H3,(H2,26,30)(H2,27,29,31).
What are the key properties of N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide?
N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 445.97 g/mol, XLogP of 4.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-fluorophenyl)-4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).