5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide

C23H20ClN7O — CID 157043585

IUPAC5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cc(Nc2ccnc(NC(=O)c3ccc(Nc4ccnc(C)c4Cl)cn3)c2)ccn1
InChIInChI=1S/C23H20ClN7O/c1-14-11-16(5-8-25-14)29-17-6-9-27-21(12-17)31-23(32)20-4-3-18(13-28-20)30-19-7-10-26-15(2)22(19)24/h3-13H,1-2H3,(H,26,30)(H2,25,27,29,31,32)
InChIKeyVMUFZPXWWSJLII-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.28
Rot. Bonds6

About 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide

5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 157043585) has the molecular formula C23H20ClN7O and a molecular weight of 445.91 g/mol. Its IUPAC name is 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide
PubChem CID157043585
Molecular FormulaC23H20ClN7O
Molecular Weight445.91 g/mol
Exact Mass445.14
IUPAC Name5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cc(Nc2ccnc(NC(=O)c3ccc(Nc4ccnc(C)c4Cl)cn3)c2)ccn1
InChIInChI=1S/C23H20ClN7O/c1-14-11-16(5-8-25-14)29-17-6-9-27-21(12-17)31-23(32)20-4-3-18(13-28-20)30-19-7-10-26-15(2)22(19)24/h3-13H,1-2H3,(H,26,30)(H2,25,27,29,31,32)
InChIKeyVMUFZPXWWSJLII-UHFFFAOYSA-N
XLogP5.28
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide (CID 157043585) is 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide is Cc1cc(Nc2ccnc(NC(=O)c3ccc(Nc4ccnc(C)c4Cl)cn3)c2)ccn1.
What is the InChIKey of 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is VMUFZPXWWSJLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O/c1-14-11-16(5-8-25-14)29-17-6-9-27-21(12-17)31-23(32)20-4-3-18(13-28-20)30-19-7-10-26-15(2)22(19)24/h3-13H,1-2H3,(H,26,30)(H2,25,27,29,31,32).
What are the key properties of 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide?
5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 157043585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).