acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane

C23H32N4O2 — CID 144713068

IUPACacetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane
SMILESC#C.CC(O)c1cccc(/N=C(\N)c2c(N)cc[nH]c2=O)c1.CC1CCCCC1
InChIInChI=1S/C14H16N4O2.C7H14.C2H2/c1-8(19)9-3-2-4-10(7-9)18-13(16)12-11(15)5-6-17-14(12)20;1-7-5-3-2-4-6-7;1-2/h2-8,19H,1H3,(H2,16,18)(H3,15,17,20);7H,2-6H2,1H3;1-2H
InChIKeyRFCZNWSLIISGRQ-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.88
Rot. Bonds3

About acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane

acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane (PubChem CID 144713068) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane.

Molecular Properties

Compound Nameacetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane
PubChem CID144713068
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Nameacetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane
SMILESC#C.CC(O)c1cccc(/N=C(\N)c2c(N)cc[nH]c2=O)c1.CC1CCCCC1
InChIInChI=1S/C14H16N4O2.C7H14.C2H2/c1-8(19)9-3-2-4-10(7-9)18-13(16)12-11(15)5-6-17-14(12)20;1-7-5-3-2-4-6-7;1-2/h2-8,19H,1H3,(H2,16,18)(H3,15,17,20);7H,2-6H2,1H3;1-2H
InChIKeyRFCZNWSLIISGRQ-UHFFFAOYSA-N
XLogP3.88
TPSA117.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.88
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[(4-hydroxy-4-methylcyclohexyl)amino]-2-[N'-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]carbamimidoyl]prop-2-enamide
CID 137176896
4-(cyclohexylamino)-N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137281911
4-(cyclopentylamino)-2-oxo-N'-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 137282058
acetonitrile;4-(cyclopentylamino)-2-oxo-N'-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 144712729
N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-4-(heptan-4-ylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 144713182
4-[[(1S,2S)-2-cyanocyclohexyl]amino]-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 136930095
1-acetyl-4-(cyclopropylmethylamino)-N'-[3-[3-(1-hydroxyethyl)phenyl]phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137093156
1-acetyl-4-(cyclopropylmethylamino)-N'-[3-[3-(1-hydroxypropyl)phenyl]phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137093159
4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137282032
acetylene;N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-4-(heptan-4-ylamino)-2-oxo-1H-pyridine-3-carboximidamide;formonitrile
CID 144713181
4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-N'-methyl-2-oxo-1H-pyridine-3-carboximidamide
CID 164086036
4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 144713016

Frequently Asked Questions

What is the IUPAC name of acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane?
The IUPAC name of acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane (CID 144713068) is acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane.
What is the SMILES notation for acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane?
The canonical SMILES for acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane is C#C.CC(O)c1cccc(/N=C(\N)c2c(N)cc[nH]c2=O)c1.CC1CCCCC1.
What is the InChIKey of acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane?
The InChIKey is RFCZNWSLIISGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2.C7H14.C2H2/c1-8(19)9-3-2-4-10(7-9)18-13(16)12-11(15)5-6-17-14(12)20;1-7-5-3-2-4-6-7;1-2/h2-8,19H,1H3,(H2,16,18)(H3,15,17,20);7H,2-6H2,1H3;1-2H.
What are the key properties of acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane?
acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane has a molecular weight of 396.54 g/mol, XLogP of 3.88, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;4-amino-N'-[3-(1-hydroxyethyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide;methylcyclohexane is sourced from PubChem (CID 144713068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).