carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium

C15H14ClFN4O2Pr-2 — CID 163245004

IUPACcarbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium
SMILESCNC(=O)c1cc(F)c(Cl)nc1N(C=O)c1[c-]nccc1C.[CH3-].[Pr]
InChIInChI=1S/C14H11ClFN4O2.CH3.Pr/c1-8-3-4-18-6-11(8)20(7-21)13-9(14(22)17-2)5-10(16)12(15)19-13;;/h3-5,7H,1-2H3,(H,17,22);1H3;/q2*-1;
InChIKeyIIVILEQSHIMTPA-UHFFFAOYSA-N
MW477.66 g/mol
LogP2.48
Rot. Bonds4

About carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium

carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium (PubChem CID 163245004) has the molecular formula C15H14ClFN4O2Pr-2 and a molecular weight of 477.66 g/mol. Its IUPAC name is carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium.

Molecular Properties

Compound Namecarbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium
PubChem CID163245004
Molecular FormulaC15H14ClFN4O2Pr-2
Molecular Weight477.66 g/mol
Exact Mass476.99
IUPAC Namecarbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium
SMILESCNC(=O)c1cc(F)c(Cl)nc1N(C=O)c1[c-]nccc1C.[CH3-].[Pr]
InChIInChI=1S/C14H11ClFN4O2.CH3.Pr/c1-8-3-4-18-6-11(8)20(7-21)13-9(14(22)17-2)5-10(16)12(15)19-13;;/h3-5,7H,1-2H3,(H,17,22);1H3;/q2*-1;
InChIKeyIIVILEQSHIMTPA-UHFFFAOYSA-N
XLogP2.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.66
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium 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

6-chloro-5-fluoro-2-[formyl-(4-phosphanyl-2-propan-2-yl-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 170125435
5-fluoro-2-[formyl-(4-methyl-2-propylsulfanyl-3-pyridinyl)amino]-N,6-dimethylpyridine-3-carboxamide
CID 170125715
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
2,6-dichloro-N-[(2,4-dimethyl-3-pyridinyl)carbamoyl]-5-fluoropyridine-3-carboxamide
CID 146612498
2-(2-chloro-N-formylanilino)-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 174269915
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
3-amino-2-chloro-N,6-dimethylpyridine-4-carboxamide
CID 169154520
[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]azanium chloride
CID 172855088
2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135379062
2-[(E)-2-(4-fluoro-3-methylphenyl)ethenyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56825968
2-fluoro-5-formyl-N-methylbenzamide
CID 131591850
N-[(2-benzyl-4-methyl-3-pyridinyl)carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide
CID 163370920

Frequently Asked Questions

What is the IUPAC name of carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium?
The IUPAC name of carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium (CID 163245004) is carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium.
What is the SMILES notation for carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium?
The canonical SMILES for carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium is CNC(=O)c1cc(F)c(Cl)nc1N(C=O)c1[c-]nccc1C.[CH3-].[Pr].
What is the InChIKey of carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium?
The InChIKey is IIVILEQSHIMTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN4O2.CH3.Pr/c1-8-3-4-18-6-11(8)20(7-21)13-9(14(22)17-2)5-10(16)12(15)19-13;;/h3-5,7H,1-2H3,(H,17,22);1H3;/q2*-1;.
What are the key properties of carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium?
carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium has a molecular weight of 477.66 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;6-chloro-5-fluoro-2-[formyl-(4-methyl-2H-pyridin-2-id-3-yl)amino]-N-methylpyridine-3-carboxamide;praseodymium is sourced from PubChem (CID 163245004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).