N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide

C25H24ClF2N5O — CID 175113658

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide
SMILESO=C(NN=CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C25H24ClF2N5O/c26-21-4-2-1-3-18(21)16-33-11-9-17(10-12-33)14-30-32-25(34)24-8-6-20(15-29-24)31-19-5-7-22(27)23(28)13-19/h1-8,13-15,17,31H,9-12,16H2,(H,32,34)
InChIKeySWVZKBXUEAAZOO-UHFFFAOYSA-N
MW483.95 g/mol
LogP5.38
Rot. Bonds7

About N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide (PubChem CID 175113658) has the molecular formula C25H24ClF2N5O and a molecular weight of 483.95 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide
PubChem CID175113658
Molecular FormulaC25H24ClF2N5O
Molecular Weight483.95 g/mol
Exact Mass483.16
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide
SMILESO=C(NN=CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C25H24ClF2N5O/c26-21-4-2-1-3-18(21)16-33-11-9-17(10-12-33)14-30-32-25(34)24-8-6-20(15-29-24)31-19-5-7-22(27)23(28)13-19/h1-8,13-15,17,31H,9-12,16H2,(H,32,34)
InChIKeySWVZKBXUEAAZOO-UHFFFAOYSA-N
XLogP5.38
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.95
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide (CID 175113658) is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide is O=C(NN=CC1CCN(Cc2ccccc2Cl)CC1)c1ccc(Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide?
The InChIKey is SWVZKBXUEAAZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N5O/c26-21-4-2-1-3-18(21)16-33-11-9-17(10-12-33)14-30-32-25(34)24-8-6-20(15-29-24)31-19-5-7-22(27)23(28)13-19/h1-8,13-15,17,31H,9-12,16H2,(H,32,34).
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide?
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide has a molecular weight of 483.95 g/mol, XLogP of 5.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 175113658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).