5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide

C20H21Cl2FN4O — CID 44527557

IUPAC5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cnc(N2CCN(Cc3c(F)cccc3Cl)CC2)c(Cl)c1
InChIInChI=1S/C20H21Cl2FN4O/c21-16-2-1-3-18(23)15(16)12-26-6-8-27(9-7-26)19-17(22)10-13(11-24-19)20(28)25-14-4-5-14/h1-3,10-11,14H,4-9,12H2,(H,25,28)
InChIKeyBECPLBAJCCRZQM-UHFFFAOYSA-N
MW423.32 g/mol
LogP3.74
Rot. Bonds5

About 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide

5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 44527557) has the molecular formula C20H21Cl2FN4O and a molecular weight of 423.32 g/mol. Its IUPAC name is 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide
PubChem CID44527557
Molecular FormulaC20H21Cl2FN4O
Molecular Weight423.32 g/mol
Exact Mass422.11
IUPAC Name5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cnc(N2CCN(Cc3c(F)cccc3Cl)CC2)c(Cl)c1
InChIInChI=1S/C20H21Cl2FN4O/c21-16-2-1-3-18(23)15(16)12-26-6-8-27(9-7-26)19-17(22)10-13(11-24-19)20(28)25-14-4-5-14/h1-3,10-11,14H,4-9,12H2,(H,25,28)
InChIKeyBECPLBAJCCRZQM-UHFFFAOYSA-N
XLogP3.74
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3,4-dimethoxybenzamide
CID 2810689
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclohexylpyridine-3-carboxamide;molecular hydrogen
CID 158191635
5-chloro-6-[(3S)-4-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-3-methylpiperazin-1-yl]-N-methylpyridine-3-carboxamide;molecular hydrogen
CID 158222801
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
5-chloro-6-[4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-cyclopentylpyridine-3-carboxamide
CID 59427454
5-chloro-N-[(3-chlorophenyl)methyl]-6-[4-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427666
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25249332
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 11713886
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 53322504
4-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5077617
5-chloro-6-[4-[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 11556135
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
CID 55855492

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide (CID 44527557) is 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1cnc(N2CCN(Cc3c(F)cccc3Cl)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is BECPLBAJCCRZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2FN4O/c21-16-2-1-3-18(23)15(16)12-26-6-8-27(9-7-26)19-17(22)10-13(11-24-19)20(28)25-14-4-5-14/h1-3,10-11,14H,4-9,12H2,(H,25,28).
What are the key properties of 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide?
5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 423.32 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 44527557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).