N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide

C28H31F3N4O — CID 154683010

IUPACN-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide
SMILESCCCC(=O)N(CCCCCc1ccc(C(F)(F)F)cn1)c1cccc(-c2cnc(C3CC3)nc2)c1
InChIInChI=1S/C28H31F3N4O/c1-2-7-26(36)35(15-5-3-4-9-24-14-13-23(19-32-24)28(29,30)31)25-10-6-8-21(16-25)22-17-33-27(34-18-22)20-11-12-20/h6,8,10,13-14,16-20H,2-5,7,9,11-12,15H2,1H3
InChIKeyVKKFIVGBSHTZBA-UHFFFAOYSA-N
MW496.58 g/mol
LogP6.98
Rot. Bonds11

About N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide

N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide (PubChem CID 154683010) has the molecular formula C28H31F3N4O and a molecular weight of 496.58 g/mol. Its IUPAC name is N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide
PubChem CID154683010
Molecular FormulaC28H31F3N4O
Molecular Weight496.58 g/mol
Exact Mass496.24
IUPAC NameN-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide
SMILESCCCC(=O)N(CCCCCc1ccc(C(F)(F)F)cn1)c1cccc(-c2cnc(C3CC3)nc2)c1
InChIInChI=1S/C28H31F3N4O/c1-2-7-26(36)35(15-5-3-4-9-24-14-13-23(19-32-24)28(29,30)31)25-10-6-8-21(16-25)22-17-33-27(34-18-22)20-11-12-20/h6,8,10,13-14,16-20H,2-5,7,9,11-12,15H2,1H3
InChIKeyVKKFIVGBSHTZBA-UHFFFAOYSA-N
XLogP6.98
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-2-methylidene-N-[3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]butanamide
CID 166977203
4-fluoro-2-methylidene-N-[3-(2-propyl-1,3-oxazol-5-yl)phenyl]-N-[5-[4-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide
CID 166976740
N-[3-(2-ethoxypyrimidin-5-yl)phenyl]-4-fluoro-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]butanamide
CID 155064172
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(4-ethoxy-2-pyridinyl)phenyl]-4-fluoropent-4-enamide
CID 166977225
2-[4-[[N-butanoyl-3-[4-(trifluoromethyl)phenyl]anilino]methyl]-2-methylphenoxy]acetic acid
CID 18448320
N-[3-[(5-cyclopropylpyrimidin-2-yl)amino]phenyl]-N-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-bicyclo[2.2.2]octanyl]methyl]butanamide;fluoroethene
CID 154684094
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-(2-methyl-1,3-benzothiazol-5-yl)phenyl]pent-4-enamide
CID 166977046
N-[3-(3-cyano-4-fluorophenyl)phenyl]-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoropent-4-enamide;ethene
CID 154682993
N-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-2-methylidenebutanamide
CID 166976975
N-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentyl]-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-4-fluoropent-4-enamide
CID 166976960
N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pentyl]-4-fluoro-N-[3-[1-(oxetan-3-yl)pyrazol-3-yl]phenyl]pent-4-enamide
CID 166976908

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide?
The IUPAC name of N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide (CID 154683010) is N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide.
What is the SMILES notation for N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide?
The canonical SMILES for N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide is CCCC(=O)N(CCCCCc1ccc(C(F)(F)F)cn1)c1cccc(-c2cnc(C3CC3)nc2)c1.
What is the InChIKey of N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide?
The InChIKey is VKKFIVGBSHTZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N4O/c1-2-7-26(36)35(15-5-3-4-9-24-14-13-23(19-32-24)28(29,30)31)25-10-6-8-21(16-25)22-17-33-27(34-18-22)20-11-12-20/h6,8,10,13-14,16-20H,2-5,7,9,11-12,15H2,1H3.
What are the key properties of N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide?
N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide has a molecular weight of 496.58 g/mol, XLogP of 6.98, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropylpyrimidin-5-yl)phenyl]-N-[5-[5-(trifluoromethyl)-2-pyridinyl]pentyl]butanamide is sourced from PubChem (CID 154683010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).