4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide

C22H27FN4O3 — CID 55714103

IUPAC4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C22H27FN4O3/c23-16-8-11-19(12-9-16)30-21-13-10-18(15-25-21)26-20(28)7-4-14-24-22(29)27-17-5-2-1-3-6-17/h8-13,15,17H,1-7,14H2,(H,26,28)(H2,24,27,29)
InChIKeySVQTTZHAWLWFBB-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.36
Rot. Bonds8

About 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide

4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide (PubChem CID 55714103) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide
PubChem CID55714103
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC Name4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide
SMILESO=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C22H27FN4O3/c23-16-8-11-19(12-9-16)30-21-13-10-18(15-25-21)26-20(28)7-4-14-24-22(29)27-17-5-2-1-3-6-17/h8-13,15,17H,1-7,14H2,(H,26,28)(H2,24,27,29)
InChIKeySVQTTZHAWLWFBB-UHFFFAOYSA-N
XLogP4.36
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
N-[3-chloro-4-(difluoromethoxy)phenyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 18225712
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 18146673
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 71845869
N-[6-(4-fluorophenoxy)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119849104

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide?
The IUPAC name of 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide (CID 55714103) is 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide?
The canonical SMILES for 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide is O=C(CCCNC(=O)NC1CCCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide?
The InChIKey is SVQTTZHAWLWFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c23-16-8-11-19(12-9-16)30-21-13-10-18(15-25-21)26-20(28)7-4-14-24-22(29)27-17-5-2-1-3-6-17/h8-13,15,17H,1-7,14H2,(H,26,28)(H2,24,27,29).
What are the key properties of 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide?
4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide has a molecular weight of 414.48 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylcarbamoylamino)-N-[6-(4-fluorophenoxy)-3-pyridinyl]butanamide is sourced from PubChem (CID 55714103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).