2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide

C24H23Cl2FN4O — CID 71495154

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(F)c(Cl)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H23Cl2FN4O/c25-17-7-4-8-19(13-17)29-24(32)20-14-21(27)22(26)30-23(20)28-18-9-11-31(12-10-18)15-16-5-2-1-3-6-16/h1-8,13-14,18H,9-12,15H2,(H,28,30)(H,29,32)
InChIKeyCZSMPCXEGMYJBZ-UHFFFAOYSA-N
MW473.38 g/mol
LogP5.86
Rot. Bonds6

About 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide

2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide (PubChem CID 71495154) has the molecular formula C24H23Cl2FN4O and a molecular weight of 473.38 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide
PubChem CID71495154
Molecular FormulaC24H23Cl2FN4O
Molecular Weight473.38 g/mol
Exact Mass472.12
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cc(F)c(Cl)nc1NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H23Cl2FN4O/c25-17-7-4-8-19(13-17)29-24(32)20-14-21(27)22(26)30-23(20)28-18-9-11-31(12-10-18)15-16-5-2-1-3-6-16/h1-8,13-14,18H,9-12,15H2,(H,28,30)(H,29,32)
InChIKeyCZSMPCXEGMYJBZ-UHFFFAOYSA-N
XLogP5.86
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.38
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 110921235
6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 90386351
ethyl 6-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-2-chloro-5-fluoropyridine-3-carboxylate
CID 86603759
3-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]phenyl]propanoic acid
CID 122044493
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
3-N-(1-benzylpiperidin-4-yl)-2-fluoro-1-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 155425453
6-N-(1-benzylpiperidin-4-yl)-2-N-ethyl-3,5-difluoropyridine-2,6-diamine
CID 114074043
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide (CID 71495154) is 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cc(F)c(Cl)nc1NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide?
The InChIKey is CZSMPCXEGMYJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2FN4O/c25-17-7-4-8-19(13-17)29-24(32)20-14-21(27)22(26)30-23(20)28-18-9-11-31(12-10-18)15-16-5-2-1-3-6-16/h1-8,13-14,18H,9-12,15H2,(H,28,30)(H,29,32).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide?
2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide has a molecular weight of 473.38 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 71495154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).