(2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide

C48H49ClN12O6S2 — CID 158233647

About (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide

(2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide (PubChem CID 158233647) has the molecular formula C48H49ClN12O6S2 and a molecular weight of 989.58 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide
• PubChem CID: 158233647
• Molecular Formula: C48H49ClN12O6S2
• Molecular Weight: 989.58 g/mol
• Exact Mass: 988.30
• IUPAC Name: (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide
• SMILES: CNC(=O)c1cnc(Cl)cc1Nc1cccc(-c2csc(C)n2)c1OC.CNC(=O)c1cnc(Nc2cc(CO)ccn2)cc1Nc1cccc(-c2csc(C)n2)c1OC.Nc1cc(CO)ccn1
• InChI: InChI=1S/C24H24N6O3S.C18H17ClN4O2S.C6H8N2O/c1-14-28-20(13-34-14)16-5-4-6-18(23(16)33-3)29-19-10-22(27-11-17(19)24(32)25-2)30-21-9-15(12-31)7-8-26-21;1-10-22-15(9-26-10)11-5-4-6-13(17(11)25-3)23-14-7-16(19)21-8-12(14)18(24)20-2;7-6-3-5(4-9)1-2-8-6/h4-11,13,31H,12H2,1-3H3,(H,25,32)(H2,26,27,29,30);4-9H,1-3H3,(H,20,24)(H,21,23);1-3,9H,4H2,(H2,7,8)
• InChIKey: GERQGJFKMCUFCX-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 256.57 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	989.58
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide?

The IUPAC name of (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide (CID 158233647) is (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide?

The canonical SMILES for (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide is CNC(=O)c1cnc(Cl)cc1Nc1cccc(-c2csc(C)n2)c1OC.CNC(=O)c1cnc(Nc2cc(CO)ccn2)cc1Nc1cccc(-c2csc(C)n2)c1OC.Nc1cc(CO)ccn1.

What is the InChIKey of (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide?

The InChIKey is GERQGJFKMCUFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S.C18H17ClN4O2S.C6H8N2O/c1-14-28-20(13-34-14)16-5-4-6-18(23(16)33-3)29-19-10-22(27-11-17(19)24(32)25-2)30-21-9-15(12-31)7-8-26-21;1-10-22-15(9-26-10)11-5-4-6-13(17(11)25-3)23-14-7-16(19)21-8-12(14)18(24)20-2;7-6-3-5(4-9)1-2-8-6/h4-11,13,31H,12H2,1-3H3,(H,25,32)(H2,26,27,29,30);4-9H,1-3H3,(H,20,24)(H,21,23);1-3,9H,4H2,(H2,7,8).

What are the key properties of (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide?

(2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide has a molecular weight of 989.58 g/mol, XLogP of 8.69, 14 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2-amino-4-pyridinyl)methanol;6-chloro-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide;6-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-[2-methoxy-3-(2-methyl-1,3-thiazol-4-yl)anilino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 158233647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).