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

C25H26N8O — CID 122287779

IUPACN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2)n1
InChIInChI=1S/C25H26N8O/c1-18-16-23(32-14-6-3-7-15-32)30-25(27-18)29-20-12-10-19(11-13-20)28-24(34)22-17-26-33(31-22)21-8-4-2-5-9-21/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,28,34)(H,27,29,30)
InChIKeyFBXYUDZSCKZHAO-UHFFFAOYSA-N
MW454.54 g/mol
LogP4.35
Rot. Bonds6

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

N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide (PubChem CID 122287779) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide
PubChem CID122287779
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC NameN-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide
SMILESCc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2)n1
InChIInChI=1S/C25H26N8O/c1-18-16-23(32-14-6-3-7-15-32)30-25(27-18)29-20-12-10-19(11-13-20)28-24(34)22-17-26-33(31-22)21-8-4-2-5-9-21/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,28,34)(H,27,29,30)
InChIKeyFBXYUDZSCKZHAO-UHFFFAOYSA-N
XLogP4.35
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]-2-phenyltriazole-4-carboxamide
CID 122294345
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-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide
CID 122287788
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
N-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-2-phenyltriazole-4-carboxamide
CID 122325694
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-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122287856
5-cyclopropyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122287839
4-(dimethylamino)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 122287578
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 44522249

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide (CID 122287779) is N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide is Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3cnn(-c4ccccc4)n3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is FBXYUDZSCKZHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c1-18-16-23(32-14-6-3-7-15-32)30-25(27-18)29-20-12-10-19(11-13-20)28-24(34)22-17-26-33(31-22)21-8-4-2-5-9-21/h2,4-5,8-13,16-17H,3,6-7,14-15H2,1H3,(H,28,34)(H,27,29,30).
What are the key properties of N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide?
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 454.54 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 122287779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).