N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

C21H27FN4O — CID 109216141

IUPACN-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N2CCN(c3ccccc3F)CC2)ccn1
InChIInChI=1S/C21H27FN4O/c1-3-4-11-24(2)21(27)19-16-17(9-10-23-19)25-12-14-26(15-13-25)20-8-6-5-7-18(20)22/h5-10,16H,3-4,11-15H2,1-2H3
InChIKeyWJWOJZYPNXZSPA-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.42
Rot. Bonds6

About N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide

N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (PubChem CID 109216141) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
PubChem CID109216141
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC NameN-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(N2CCN(c3ccccc3F)CC2)ccn1
InChIInChI=1S/C21H27FN4O/c1-3-4-11-24(2)21(27)19-16-17(9-10-23-19)25-12-14-26(15-13-25)20-8-6-5-7-18(20)22/h5-10,16H,3-4,11-15H2,1-2H3
InChIKeyWJWOJZYPNXZSPA-UHFFFAOYSA-N
XLogP3.42
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109194360
N-butyl-4-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109216191
N-butyl-N-methyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109088698
4-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109213263
N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310342
N-butyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyridine-2-carboxamide
CID 109216819
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
4-[4-[4-(2-fluorophenyl)piperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208746
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
N-butyl-N,2-dimethyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109373195
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide (CID 109216141) is N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(N2CCN(c3ccccc3F)CC2)ccn1.
What is the InChIKey of N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is WJWOJZYPNXZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-3-4-11-24(2)21(27)19-16-17(9-10-23-19)25-12-14-26(15-13-25)20-8-6-5-7-18(20)22/h5-10,16H,3-4,11-15H2,1-2H3.
What are the key properties of N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide?
N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109216141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).