N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide

C27H30N6O — CID 122316347

IUPACN-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)ncn2)c1
InChIInChI=1S/C27H30N6O/c1-17-6-7-28-23(8-17)33-25-12-24(29-16-30-25)31-21-2-4-22(5-3-21)32-26(34)27-13-18-9-19(14-27)11-20(10-18)15-27/h2-8,12,16,18-20H,9-11,13-15H2,1H3,(H,32,34)(H2,28,29,30,31,33)
InChIKeyAENHRBIDYPPIDZ-UHFFFAOYSA-N
MW454.58 g/mol
LogP5.82
Rot. Bonds6

About N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide

N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide (PubChem CID 122316347) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
PubChem CID122316347
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC NameN-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)ncn2)c1
InChIInChI=1S/C27H30N6O/c1-17-6-7-28-23(8-17)33-25-12-24(29-16-30-25)31-21-2-4-22(5-3-21)32-26(34)27-13-18-9-19(14-27)11-20(10-18)15-27/h2-8,12,16,18-20H,9-11,13-15H2,1H3,(H,32,34)(H2,28,29,30,31,33)
InChIKeyAENHRBIDYPPIDZ-UHFFFAOYSA-N
XLogP5.82
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 55.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
CID 122297677
1-(4-chlorophenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316239
2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316210
3,3,3-trifluoro-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316462
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316268
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide
CID 122296737
1-(2-chloro-4-methylphenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316271
2,5-dimethyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]furan-3-carboxamide
CID 122316373
5-methyl-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122316412
3-fluoro-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122316488
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(trifluoromethyl)benzamide
CID 122316192
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide (CID 122316347) is N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide is Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)C45CC6CC(CC(C6)C4)C5)cc3)ncn2)c1.
What is the InChIKey of N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide?
The InChIKey is AENHRBIDYPPIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-17-6-7-28-23(8-17)33-25-12-24(29-16-30-25)31-21-2-4-22(5-3-21)32-26(34)27-13-18-9-19(14-27)11-20(10-18)15-27/h2-8,12,16,18-20H,9-11,13-15H2,1H3,(H,32,34)(H2,28,29,30,31,33).
What are the key properties of N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide?
N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 5.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]adamantane-1-carboxamide is sourced from PubChem (CID 122316347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).