N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide

C22H19N7O — CID 122317045

IUPACN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)c3ccncc3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C22H19N7O/c1-15-25-20(14-21(26-15)29-19-4-2-3-11-24-19)27-17-5-7-18(8-6-17)28-22(30)16-9-12-23-13-10-16/h2-14H,1H3,(H,28,30)(H2,24,25,26,27,29)
InChIKeyDYSIXVDRABJHOD-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.31
Rot. Bonds6

About N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 122317045) has the molecular formula C22H19N7O and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
PubChem CID122317045
Molecular FormulaC22H19N7O
Molecular Weight397.44 g/mol
Exact Mass397.17
IUPAC NameN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
SMILESCc1nc(Nc2ccc(NC(=O)c3ccncc3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C22H19N7O/c1-15-25-20(14-21(26-15)29-19-4-2-3-11-24-19)27-17-5-7-18(8-6-17)28-22(30)16-9-12-23-13-10-16/h2-14H,1H3,(H,28,30)(H2,24,25,26,27,29)
InChIKeyDYSIXVDRABJHOD-UHFFFAOYSA-N
XLogP4.31
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986
2-methoxy-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317288
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]thiophene-3-carboxamide
CID 122317137
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122317139
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316969
2,4-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122317031
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122317189
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
1-(3-chlorophenyl)-3-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122317050
1-methyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-oxopyridine-3-carboxamide
CID 122317146
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122317195
1-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122317122

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide (CID 122317045) is N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide is Cc1nc(Nc2ccc(NC(=O)c3ccncc3)cc2)cc(Nc2ccccn2)n1.
What is the InChIKey of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is DYSIXVDRABJHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O/c1-15-25-20(14-21(26-15)29-19-4-2-3-11-24-19)27-17-5-7-18(8-6-17)28-22(30)16-9-12-23-13-10-16/h2-14H,1H3,(H,28,30)(H2,24,25,26,27,29).
What are the key properties of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide?
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 122317045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).