N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide

C26H37FN6O2 — CID 70318290

IUPACN-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide
SMILESCOC/C(=N\CCN1CCOCC1)Nc1ccc(-c2ccc(F)nc2)nc1NCC1CCCCC1
InChIInChI=1S/C26H37FN6O2/c1-34-19-25(28-11-12-33-13-15-35-16-14-33)31-23-9-8-22(21-7-10-24(27)29-18-21)32-26(23)30-17-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-17,19H2,1H3,(H,28,31)(H,30,32)
InChIKeyNRJPRFBWOYWCIU-UHFFFAOYSA-N
MW484.62 g/mol
LogP4.06
Rot. Bonds10

About N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide

N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide (PubChem CID 70318290) has the molecular formula C26H37FN6O2 and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide
PubChem CID70318290
Molecular FormulaC26H37FN6O2
Molecular Weight484.62 g/mol
Exact Mass484.30
IUPAC NameN-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide
SMILESCOC/C(=N\CCN1CCOCC1)Nc1ccc(-c2ccc(F)nc2)nc1NCC1CCCCC1
InChIInChI=1S/C26H37FN6O2/c1-34-19-25(28-11-12-33-13-15-35-16-14-33)31-23-9-8-22(21-7-10-24(27)29-18-21)32-26(23)30-17-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-17,19H2,1H3,(H,28,31)(H,30,32)
InChIKeyNRJPRFBWOYWCIU-UHFFFAOYSA-N
XLogP4.06
TPSA83.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylmethyl)-6-(6-methoxy-3-pyridinyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
CID 45269493
4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-morpholin-4-ylethylamino)pyrido[2,3-b]pyrazin-3-one
CID 24883368
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-(2-cyclopentylethyl)-2-[6-[4-(2-morpholin-4-ylethoxy)phenyl]-3-pyridinyl]acetamide
CID 59529212
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185821
4-[2-(cyclohexylamino)pyrimidin-5-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 53108652
(3S,6S)-6-ethyl-N-[4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 123967854
N-[N-(4-fluorophenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]-3,4-dimethoxybenzamide
CID 50819452
2-[(6-cyclohexyloxy-3-pyridinyl)methyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine
CID 111187727
N-[(1R)-1-cyclohexylethyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]acetamide
CID 59529223
N-[2-amino-5-(6-fluoro-3-pyridinyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 69101495
4-tert-butyl-N-[N-(4-fluorophenyl)-N'-(2-morpholin-4-ylethyl)carbamimidoyl]benzamide
CID 50819648

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide?
The IUPAC name of N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide (CID 70318290) is N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide.
What is the SMILES notation for N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide?
The canonical SMILES for N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide is COC/C(=N\CCN1CCOCC1)Nc1ccc(-c2ccc(F)nc2)nc1NCC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide?
The InChIKey is NRJPRFBWOYWCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN6O2/c1-34-19-25(28-11-12-33-13-15-35-16-14-33)31-23-9-8-22(21-7-10-24(27)29-18-21)32-26(23)30-17-20-5-3-2-4-6-20/h7-10,18,20H,2-6,11-17,19H2,1H3,(H,28,31)(H,30,32).
What are the key properties of N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide?
N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide has a molecular weight of 484.62 g/mol, XLogP of 4.06, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethylamino)-6-(6-fluoro-3-pyridinyl)-3-pyridinyl]-2-methoxy-N'-(2-morpholin-4-ylethyl)ethanimidamide is sourced from PubChem (CID 70318290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).