5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide

C21H28FN5O — CID 67704321

IUPAC5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1c(C(=O)N(C)C)cncc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H28FN5O/c1-4-9-24-20-16(21(28)25(2)3)14-23-15-19(20)27-12-10-26(11-13-27)18-8-6-5-7-17(18)22/h5-8,14-15H,4,9-13H2,1-3H3,(H,23,24)
InChIKeyAFPCLBMQQWSSHH-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.07
Rot. Bonds6

About 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide

5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide (PubChem CID 67704321) has the molecular formula C21H28FN5O and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide
PubChem CID67704321
Molecular FormulaC21H28FN5O
Molecular Weight385.49 g/mol
Exact Mass385.23
IUPAC Name5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1c(C(=O)N(C)C)cncc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H28FN5O/c1-4-9-24-20-16(21(28)25(2)3)14-23-15-19(20)27-12-10-26(11-13-27)18-8-6-5-7-17(18)22/h5-8,14-15H,4,9-13H2,1-3H3,(H,23,24)
InChIKeyAFPCLBMQQWSSHH-UHFFFAOYSA-N
XLogP3.07
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-cyclopropylphenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 67704522
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
N,N,5-trimethyl-3-[4-(2-nitrophenyl)piperazin-1-yl]-2-(propylamino)benzamide;hydrochloride
CID 67704476
N-[2-(dimethylamino)ethyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109104067
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-pentylpyridine-3-carboxamide
CID 109106697
[5-[2-(dimethylamino)ethylamino]-3-pyridinyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109229318
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-pentylpyrimidine-5-carboxamide
CID 109262108
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
4-[4-(2-ethylphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 22371006
N-butyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109194360

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide (CID 67704321) is 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide is CCCNc1c(C(=O)N(C)C)cncc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is AFPCLBMQQWSSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN5O/c1-4-9-24-20-16(21(28)25(2)3)14-23-15-19(20)27-12-10-26(11-13-27)18-8-6-5-7-17(18)22/h5-8,14-15H,4,9-13H2,1-3H3,(H,23,24).
What are the key properties of 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide?
5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67704321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).