N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide

C26H26N6O — CID 122287788

IUPACN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)n1
InChIInChI=1S/C26H26N6O/c1-18-17-24(32-15-5-2-6-16-32)31-26(27-18)29-21-12-10-20(11-13-21)28-25(33)23-14-9-19-7-3-4-8-22(19)30-23/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,33)(H,27,29,31)
InChIKeyMRBBKQQKWFOIPL-UHFFFAOYSA-N
MW438.54 g/mol
LogP5.32
Rot. Bonds5

About N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide

N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide (PubChem CID 122287788) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide
PubChem CID122287788
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC NameN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)n1
InChIInChI=1S/C26H26N6O/c1-18-17-24(32-15-5-2-6-16-32)31-26(27-18)29-21-12-10-20(11-13-21)28-25(33)23-14-9-19-7-3-4-8-22(19)30-23/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,33)(H,27,29,31)
InChIKeyMRBBKQQKWFOIPL-UHFFFAOYSA-N
XLogP5.32
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.54
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-6-oxopyridazine-3-carboxamide
CID 122287784
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,3-benzothiazole-2-carboxamide
CID 122287569
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 122287779
1-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-6-oxopyridazine-3-carboxamide
CID 122287532
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122287567
2,5-dichloro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 121032327
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122287839
1-(3-chlorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 27478215
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 44522249
2-(difluoromethylsulfanyl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 122287850
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide (CID 122287788) is N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4n3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide?
The InChIKey is MRBBKQQKWFOIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-18-17-24(32-15-5-2-6-16-32)31-26(27-18)29-21-12-10-20(11-13-21)28-25(33)23-14-9-19-7-3-4-8-22(19)30-23/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,33)(H,27,29,31).
What are the key properties of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide?
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide has a molecular weight of 438.54 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 122287788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).