[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C19H21FN4O — CID 84574137

IUPAC[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1NC1CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H21FN4O/c20-16-5-1-2-6-17(16)23-10-12-24(13-11-23)19(25)15-4-3-9-21-18(15)22-14-7-8-14/h1-6,9,14H,7-8,10-13H2,(H,21,22)
InChIKeyPMQNETRISLPURM-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.76
Rot. Bonds4

About [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 84574137) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID84574137
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1cccnc1NC1CC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H21FN4O/c20-16-5-1-2-6-17(16)23-10-12-24(13-11-23)19(25)15-4-3-9-21-18(15)22-14-7-8-14/h1-6,9,14H,7-8,10-13H2,(H,21,22)
InChIKeyPMQNETRISLPURM-UHFFFAOYSA-N
XLogP2.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluoroanilino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 78814549
[4-(2-fluorophenyl)piperazin-1-yl]-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 134008379
[4-(2-chlorophenyl)piperazin-1-yl]-[2-(2-fluoroanilino)-3-pyridinyl]methanone
CID 134008458
[6-(cycloheptylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109160477
[2-(cyclopentylamino)-4-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109166108
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
[4-(2-fluorophenyl)piperazin-1-yl]-quinolin-4-ylmethanone
CID 110694885
[5-(cyclohexylamino)pyrazin-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109274875
[5-(cyclohexylamino)-2-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109183120
[4-(2-chlorophenyl)piperazin-1-yl]-(2-fluoro-3-pyridinyl)methanone
CID 70315409

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 84574137) is [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is O=C(c1cccnc1NC1CC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is PMQNETRISLPURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-16-5-1-2-6-17(16)23-10-12-24(13-11-23)19(25)15-4-3-9-21-18(15)22-14-7-8-14/h1-6,9,14H,7-8,10-13H2,(H,21,22).
What are the key properties of [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 340.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 84574137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).