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

C25H34N4O2 — CID 144713016

IUPAC4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC1CCC(O)(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)CC1
InChIInChI=1S/C25H34N4O2/c1-17-11-14-25(31,15-12-17)18-7-9-20(10-8-18)29-23(26)22-21(13-16-27-24(22)30)28-19-5-3-2-4-6-19/h7-10,13,16-17,19,31H,2-6,11-12,14-15H2,1H3,(H2,26,29)(H2,27,28,30)
InChIKeyYBUZHKYOWPKLPD-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.55
Rot. Bonds5

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

4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (PubChem CID 144713016) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
PubChem CID144713016
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
SMILESCC1CCC(O)(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)CC1
InChIInChI=1S/C25H34N4O2/c1-17-11-14-25(31,15-12-17)18-7-9-20(10-8-18)29-23(26)22-21(13-16-27-24(22)30)28-19-5-3-2-4-6-19/h7-10,13,16-17,19,31H,2-6,11-12,14-15H2,1H3,(H2,26,29)(H2,27,28,30)
InChIKeyYBUZHKYOWPKLPD-UHFFFAOYSA-N
XLogP4.55
TPSA103.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.55
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

(E)-3-[[(1S,2S,4R)-4-(3,3-dimethylazetidin-1-yl)-2-methylcyclohexyl]amino]-2-[N'-[4-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl]carbamimidoyl]prop-2-enamide
CID 137176727
(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
tert-butyl 4-ethyl-4-[[2-oxo-3-[N'-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]carbamimidoyl]-1H-pyridin-4-yl]amino]piperidine-1-carboxylate
CID 139304398
acetonitrile;4-(cyclopentylamino)-2-oxo-N'-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 144712729
4-[[(3R)-oxan-3-yl]amino]-2-oxo-N'-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1H-pyridine-3-carboximidamide
CID 144713515
N'-[4-(2,2-difluoro-1-hydroxyethyl)phenyl]-4-(heptan-4-ylamino)-2-oxo-1H-pyridine-3-carboximidamide
CID 144713182
1-acetyl-4-(cyclopropylmethylamino)-N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137035256
4-[4-[[amino-[4-(cyclohexylamino)-2-oxo-1H-pyridin-3-yl]methylidene]amino]phenyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 137130629
1-acetyl-N'-[4-[3-(2-hydroxypropan-2-yl)phenyl]phenyl]-4-(methylamino)-3,6-dihydro-2H-pyridine-5-carboximidamide
CID 137161651
4-(cyclohexylamino)-N'-[4-(3-hydroxyoxetan-3-yl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide
CID 137281943

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The IUPAC name of 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide (CID 144713016) is 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide.
What is the SMILES notation for 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The canonical SMILES for 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is CC1CCC(O)(c2ccc(/N=C(\N)c3c(NC4CCCCC4)cc[nH]c3=O)cc2)CC1.
What is the InChIKey of 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
The InChIKey is YBUZHKYOWPKLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-11-14-25(31,15-12-17)18-7-9-20(10-8-18)29-23(26)22-21(13-16-27-24(22)30)28-19-5-3-2-4-6-19/h7-10,13,16-17,19,31H,2-6,11-12,14-15H2,1H3,(H2,26,29)(H2,27,28,30).
What are the key properties of 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide?
4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide has a molecular weight of 422.57 g/mol, XLogP of 4.55, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N'-[4-(1-hydroxy-4-methylcyclohexyl)phenyl]-2-oxo-1H-pyridine-3-carboximidamide is sourced from PubChem (CID 144713016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).