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

C19H25N5O — CID 137282187

IUPACN'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
SMILESNCc1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1
InChIInChI=1S/C19H25N5O/c20-12-13-6-8-15(9-7-13)24-18(21)17-16(10-11-22-19(17)25)23-14-4-2-1-3-5-14/h6-11,14H,1-5,12,20H2,(H2,21,24)(H2,22,23,25)
InChIKeyWUMAYZYTOZHCAG-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.62
Rot. Bonds5

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

N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 137282187) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID137282187
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide
SMILESNCc1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1
InChIInChI=1S/C19H25N5O/c20-12-13-6-8-15(9-7-13)24-18(21)17-16(10-11-22-19(17)25)23-14-4-2-1-3-5-14/h6-11,14H,1-5,12,20H2,(H2,21,24)(H2,22,23,25)
InChIKeyWUMAYZYTOZHCAG-UHFFFAOYSA-N
XLogP2.62
TPSA109.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide (CID 137282187) is N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide is NCc1ccc(/N=C(\N)c2c(NC3CCCCC3)cc[nH]c2=O)cc1.
What is the InChIKey of N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is WUMAYZYTOZHCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c20-12-13-6-8-15(9-7-13)24-18(21)17-16(10-11-22-19(17)25)23-14-4-2-1-3-5-14/h6-11,14H,1-5,12,20H2,(H2,21,24)(H2,22,23,25).
What are the key properties of N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide?
N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 339.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(aminomethyl)phenyl]-4-(cyclohexylamino)-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 137282187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).