N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide

C23H33N7O — CID 137282162

IUPACN'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC(C)(c1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1)N(N)/C=C\N
InChIInChI=1S/C23H33N7O/c1-23(2,30(26)15-13-24)16-8-10-18(11-9-16)29-21(25)20-19(12-14-27-22(20)31)28-17-6-4-3-5-7-17/h8-15,17H,3-7,24,26H2,1-2H3,(H2,25,29)(H2,27,28,31)/b15-13-
InChIKeyGUZHCPKQCOWWNR-SQFISAMPSA-N
MW423.57 g/mol
LogP3.00
Rot. Bonds7

About N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide

N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282162) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282162
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC NameN'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC(C)(c1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1)N(N)/C=C\N
InChIInChI=1S/C23H33N7O/c1-23(2,30(26)15-13-24)16-8-10-18(11-9-16)29-21(25)20-19(12-14-27-22(20)31)28-17-6-4-3-5-7-17/h8-15,17H,3-7,24,26H2,1-2H3,(H2,25,29)(H2,27,28,31)/b15-13-
InChIKeyGUZHCPKQCOWWNR-SQFISAMPSA-N
XLogP3.00
TPSA138.55 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 53.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-(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
(E)-3-(cyclohexylamino)-2-[N'-[4-(2,2,2-trifluoroethyl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176685
(E)-3-(cyclohexylamino)-2-[N'-[4-(1-fluoro-2-methylpropan-2-yl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176775
4-(cyclohexylamino)-2-oxo-N'-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyridine-3-carboximidamide
CID 137281975
4-(cyclohexylamino)-2-oxo-N'-[4-[(1R)-1-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1H-pyridine-3-carboximidamide
CID 137281984
4-[[4-(1-cyclopropylethylamino)cyclohexyl]amino]-2-oxo-N'-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137282005
N'-[4-[(1S)-1-amino-2,2,2-trifluoroethyl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 137282015
4-(methylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)piperidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
CID 137282042
4-(cyclohexylamino)-2-oxo-N'-[4-[2-(trifluoromethyl)pyrrolidin-2-yl]phenyl]-1H-pyridine-3-carboximidamide
CID 137282046
4-(cyclohexylamino)-2-oxo-N'-[3-[(2,2,2-trifluoroethylamino)methyl]phenyl]-1H-pyridine-3-carboximidamide
CID 137282049
4-(cyclohexylamino)-2-oxo-N'-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137282074

Frequently Asked Questions

What is the IUPAC name of N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide (CID 137282162) is N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide is CC(C)(c1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1)N(N)/C=C\N.
What is the InChIKey of N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is GUZHCPKQCOWWNR-SQFISAMPSA-N. The full InChI is InChI=1S/C23H33N7O/c1-23(2,30(26)15-13-24)16-8-10-18(11-9-16)29-21(25)20-19(12-14-27-22(20)31)28-17-6-4-3-5-7-17/h8-15,17H,3-7,24,26H2,1-2H3,(H2,25,29)(H2,27,28,31)/b15-13-.
What are the key properties of N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 423.57 g/mol, XLogP of 3.00, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[2-[amino-[(Z)-2-aminoethenyl]amino]propan-2-yl]phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).