2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide

C20H26FN5O — CID 109262108

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C20H26FN5O/c1-2-3-6-9-22-19(27)16-14-23-20(24-15-16)26-12-10-25(11-13-26)18-8-5-4-7-17(18)21/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3,(H,22,27)
InChIKeyRZBCUPLOUHPKNA-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.86
Rot. Bonds7

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide (PubChem CID 109262108) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
PubChem CID109262108
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
SMILESCCCCCNC(=O)c1cnc(N2CCN(c3ccccc3F)CC2)nc1
InChIInChI=1S/C20H26FN5O/c1-2-3-6-9-22-19(27)16-14-23-20(24-15-16)26-12-10-25(11-13-26)18-8-5-4-7-17(18)21/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3,(H,22,27)
InChIKeyRZBCUPLOUHPKNA-UHFFFAOYSA-N
XLogP2.86
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
2-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109254758
4-butoxy-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42267156
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109254745
4-[[4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-hexylbenzamide
CID 3933447
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
2-(azepan-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256918
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
N-benzyl-6-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109155589
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]-N-propylpyridine-3-carboxamide
CID 133411794
[4-(2-fluorophenyl)piperazin-1-yl]-[6-(pentylamino)pyrimidin-4-yl]methanone
CID 109353033

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide (CID 109262108) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide is CCCCCNC(=O)c1cnc(N2CCN(c3ccccc3F)CC2)nc1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide?
The InChIKey is RZBCUPLOUHPKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-2-3-6-9-22-19(27)16-14-23-20(24-15-16)26-12-10-25(11-13-26)18-8-5-4-7-17(18)21/h4-5,7-8,14-15H,2-3,6,9-13H2,1H3,(H,22,27).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide is sourced from PubChem (CID 109262108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).