6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide

C21H22FN7O3 — CID 90134908

IUPAC6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NN)c1OC
InChIInChI=1S/C21H22FN7O3/c1-11-7-17(26-10-14(11)22)28-18-8-16(13(9-25-18)20(30)24-2)27-15-6-4-5-12(19(15)32-3)21(31)29-23/h4-10H,23H2,1-3H3,(H,24,30)(H,29,31)(H2,25,26,27,28)
InChIKeyICJRIGVJFWZJDN-UHFFFAOYSA-N
MW439.45 g/mol
LogP2.38
Rot. Bonds7

About 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide

6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide (PubChem CID 90134908) has the molecular formula C21H22FN7O3 and a molecular weight of 439.45 g/mol. Its IUPAC name is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
PubChem CID90134908
Molecular FormulaC21H22FN7O3
Molecular Weight439.45 g/mol
Exact Mass439.18
IUPAC Name6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NN)c1OC
InChIInChI=1S/C21H22FN7O3/c1-11-7-17(26-10-14(11)22)28-18-8-16(13(9-25-18)20(30)24-2)27-15-6-4-5-12(19(15)32-3)21(31)29-23/h4-10H,23H2,1-3H3,(H,24,30)(H,29,31)(H2,25,26,27,28)
InChIKeyICJRIGVJFWZJDN-UHFFFAOYSA-N
XLogP2.38
TPSA143.29 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.45
LogP ≤ 52.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-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

Bms-986202
CID 155981972
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methylpyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028706
6-(cyclopropanecarbonylamino)-4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028749
6-(cyclopropanecarbonylamino)-4-(5-fluoro-2-methoxy-3-pyrimidin-2-ylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028776
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(5-methoxypyrazin-2-yl)anilino]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 157028779
6-[(5-fluoro-4-methylpyridin-2-yl)amino]-4-[(2-methoxy-3-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)amino]-N-methylpyridine-3-carboxamide
CID 138756256
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N-methylpyridine-3-carboxamide
CID 10786203
4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 75201716
4-(3-carbamoyl-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90135056
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[2-methoxy-3-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-N-methylpyridine-3-carboxamide
CID 90135672
4-(3-cyano-2-methoxyanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153726

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide (CID 90134908) is 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NN)c1OC.
What is the InChIKey of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
The InChIKey is ICJRIGVJFWZJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7O3/c1-11-7-17(26-10-14(11)22)28-18-8-16(13(9-25-18)20(30)24-2)27-15-6-4-5-12(19(15)32-3)21(31)29-23/h4-10H,23H2,1-3H3,(H,24,30)(H,29,31)(H2,25,26,27,28).
What are the key properties of 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide?
6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide has a molecular weight of 439.45 g/mol, XLogP of 2.38, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoro-4-methyl-2-pyridinyl)amino]-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 90134908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).