6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide

C17H18ClF2N5O3S — CID 146525891

IUPAC6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(N2CCC(F)(F)CC2)c1C(=O)Nc1cncc(S(N)(=O)=O)c1
InChIInChI=1S/C17H18ClF2N5O3S/c1-10-6-13(18)24-15(25-4-2-17(19,20)3-5-25)14(10)16(26)23-11-7-12(9-22-8-11)29(21,27)28/h6-9H,2-5H2,1H3,(H,23,26)(H2,21,27,28)
InChIKeyVSWXGVRCLUURQS-UHFFFAOYSA-N
MW445.88 g/mol
LogP2.57
Rot. Bonds4

About 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide

6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 146525891) has the molecular formula C17H18ClF2N5O3S and a molecular weight of 445.88 g/mol. Its IUPAC name is 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID146525891
Molecular FormulaC17H18ClF2N5O3S
Molecular Weight445.88 g/mol
Exact Mass445.08
IUPAC Name6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cc(Cl)nc(N2CCC(F)(F)CC2)c1C(=O)Nc1cncc(S(N)(=O)=O)c1
InChIInChI=1S/C17H18ClF2N5O3S/c1-10-6-13(18)24-15(25-4-2-17(19,20)3-5-25)14(10)16(26)23-11-7-12(9-22-8-11)29(21,27)28/h6-9H,2-5H2,1H3,(H,23,26)(H2,21,27,28)
InChIKeyVSWXGVRCLUURQS-UHFFFAOYSA-N
XLogP2.57
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.88
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-Heteroarylthiomethyldipyridodiazepinone deriv. 10
CID 515044
5-chloro-2-(4,4-difluoroazepan-1-yl)-6-methyl-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525929
8-Heteroarylthiomethyldipyridodiazepinone deriv. 12
CID 515046
(5-Chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(piperidin-1-yl)methanone
CID 23725445
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-ethylpiperidin-1-yl)methanone
CID 23725537
(R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-ethylpiperidin-1-yl)methanone
CID 23725809
(S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(3-ethylpiperidin-1-yl)methanone
CID 23725810
5-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525741
6-chloro-2-(4,4-difluoroazepan-1-yl)-N-(2-sulfamoylpyridin-4-yl)pyridine-3-carboxamide
CID 146525797
US11377438, Example 53
CID 146525760
N-(6-chloro-5-(2,4-difluorophenylsulfonamido)-4-methyl-[3,4'-bipyridin]-2'-yl)cyclopropanecarboxamide
CID 118238013
N-[4-[6-chloro-5-[(2,5-difluorophenyl)sulfonylamino]-4-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118249100

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide (CID 146525891) is 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is Cc1cc(Cl)nc(N2CCC(F)(F)CC2)c1C(=O)Nc1cncc(S(N)(=O)=O)c1.
What is the InChIKey of 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is VSWXGVRCLUURQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClF2N5O3S/c1-10-6-13(18)24-15(25-4-2-17(19,20)3-5-25)14(10)16(26)23-11-7-12(9-22-8-11)29(21,27)28/h6-9H,2-5H2,1H3,(H,23,26)(H2,21,27,28).
What are the key properties of 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide?
6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 445.88 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4,4-difluoropiperidin-1-yl)-4-methyl-N-(5-sulfamoyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).