4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide

C43H49N11O4S — CID 67516012

IUPAC4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
SMILESCN(c1cnn(C)c1)c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1NCc1nccs1
InChIInChI=1S/C22H26N6O2.C21H23N5O2S/c1-27-14-18(12-25-27)28(2)20-11-21(24-13-19(20)22(23)29)26-17-5-3-15(4-6-17)16-7-9-30-10-8-16;22-21(27)17-12-25-19(11-18(17)24-13-20-23-7-10-29-20)26-16-3-1-14(2-4-16)15-5-8-28-9-6-15/h3-6,11-14,16H,7-10H2,1-2H3,(H2,23,29)(H,24,26);1-4,7,10-12,15H,5-6,8-9,13H2,(H2,22,27)(H2,24,25,26)
InChIKeyHNWPPKLEMVHRGH-UHFFFAOYSA-N
MW816.00 g/mol
LogP7.21
Rot. Bonds13

About 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide

4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide (PubChem CID 67516012) has the molecular formula C43H49N11O4S and a molecular weight of 816.00 g/mol. Its IUPAC name is 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
PubChem CID67516012
Molecular FormulaC43H49N11O4S
Molecular Weight816.00 g/mol
Exact Mass815.37
IUPAC Name4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide
SMILESCN(c1cnn(C)c1)c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1NCc1nccs1
InChIInChI=1S/C22H26N6O2.C21H23N5O2S/c1-27-14-18(12-25-27)28(2)20-11-21(24-13-19(20)22(23)29)26-17-5-3-15(4-6-17)16-7-9-30-10-8-16;22-21(27)17-12-25-19(11-18(17)24-13-20-23-7-10-29-20)26-16-3-1-14(2-4-16)15-5-8-28-9-6-15/h3-6,11-14,16H,7-10H2,1-2H3,(H2,23,29)(H,24,26);1-4,7,10-12,15H,5-6,8-9,13H2,(H2,22,27)(H2,24,25,26)
InChIKeyHNWPPKLEMVHRGH-UHFFFAOYSA-N
XLogP7.21
TPSA200.46 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500816.00
LogP ≤ 57.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)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

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide (CID 67516012) is 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide is CN(c1cnn(C)c1)c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1NCc1nccs1.
What is the InChIKey of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is HNWPPKLEMVHRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2.C21H23N5O2S/c1-27-14-18(12-25-27)28(2)20-11-21(24-13-19(20)22(23)29)26-17-5-3-15(4-6-17)16-7-9-30-10-8-16;22-21(27)17-12-25-19(11-18(17)24-13-20-23-7-10-29-20)26-16-3-1-14(2-4-16)15-5-8-28-9-6-15/h3-6,11-14,16H,7-10H2,1-2H3,(H2,23,29)(H,24,26);1-4,7,10-12,15H,5-6,8-9,13H2,(H2,22,27)(H2,24,25,26).
What are the key properties of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide?
4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 816.00 g/mol, XLogP of 7.21, 13 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(oxan-4-yl)anilino]pyridine-3-carboxamide;6-[4-(oxan-4-yl)anilino]-4-(1,3-thiazol-2-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67516012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).