2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide

C17H19ClFN5O — CID 57489643

IUPAC2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(Nc3nc(Cl)c(C(N)=O)cc3F)cc2)CC1
InChIInChI=1S/C17H19ClFN5O/c1-23-6-8-24(9-7-23)12-4-2-11(3-5-12)21-17-14(19)10-13(16(20)25)15(18)22-17/h2-5,10H,6-9H2,1H3,(H2,20,25)(H,21,22)
InChIKeyJXWYPEBDYMGFBR-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.47
Rot. Bonds4

About 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide

2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide (PubChem CID 57489643) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
PubChem CID57489643
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC Name2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
SMILESCN1CCN(c2ccc(Nc3nc(Cl)c(C(N)=O)cc3F)cc2)CC1
InChIInChI=1S/C17H19ClFN5O/c1-23-6-8-24(9-7-23)12-4-2-11(3-5-12)21-17-14(19)10-13(16(20)25)15(18)22-17/h2-5,10H,6-9H2,1H3,(H2,20,25)(H,21,22)
InChIKeyJXWYPEBDYMGFBR-UHFFFAOYSA-N
XLogP2.47
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]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

5-chloro-3-[4-(4-methylpiperazin-1-yl)anilino]-6-propan-2-ylpyrazine-2-carboxamide
CID 88569768
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
5-chloro-3-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]-6-(2-hydroxypropan-2-yl)pyrazine-2-carboxamide
CID 88569782
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[[5-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 135305758
4-[4-(4-methylpiperazin-1-yl)anilino]-2-[4-(morpholine-4-carbonyl)anilino]pyrimidine-5-carboxamide
CID 177309965
4-[[5-fluoro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-hydroxybenzamide
CID 163214030
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56599747
2-[3-[(2-fluorobenzoyl)amino]phenyl]-4-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazole-5-carboxamide
CID 155553418
4-(cyclobutylamino)-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-5-carboxamide
CID 58014961
3-[[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 44526828
methyl 3-[[5-fluoro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzoate
CID 162721140
5-bromo-3-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 70497264

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide (CID 57489643) is 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide is CN1CCN(c2ccc(Nc3nc(Cl)c(C(N)=O)cc3F)cc2)CC1.
What is the InChIKey of 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The InChIKey is JXWYPEBDYMGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c1-23-6-8-24(9-7-23)12-4-2-11(3-5-12)21-17-14(19)10-13(16(20)25)15(18)22-17/h2-5,10H,6-9H2,1H3,(H2,20,25)(H,21,22).
What are the key properties of 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide has a molecular weight of 363.82 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 57489643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).