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

C29H26N6O — CID 122316768

IUPACN-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cc4cccc5ccccc45)cc3)nc(C)n2)c1
InChIInChI=1S/C29H26N6O/c1-19-14-15-30-26(16-19)35-28-18-27(31-20(2)32-28)33-23-10-12-24(13-11-23)34-29(36)17-22-8-5-7-21-6-3-4-9-25(21)22/h3-16,18H,17H2,1-2H3,(H,34,36)(H2,30,31,32,33,35)
InChIKeyRHZZOLIOSJMQQG-UHFFFAOYSA-N
MW474.57 g/mol
LogP6.31
Rot. Bonds7

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

N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 122316768) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID122316768
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC NameN-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cc4cccc5ccccc45)cc3)nc(C)n2)c1
InChIInChI=1S/C29H26N6O/c1-19-14-15-30-26(16-19)35-28-18-27(31-20(2)32-28)33-23-10-12-24(13-11-23)34-29(36)17-22-8-5-7-21-6-3-4-9-25(21)22/h3-16,18H,17H2,1-2H3,(H,34,36)(H2,30,31,32,33,35)
InChIKeyRHZZOLIOSJMQQG-UHFFFAOYSA-N
XLogP6.31
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 56.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-(2-fluorophenyl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316808
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316802
N-[4-[(6-imidazol-1-yl-2-methylpyrimidin-4-yl)amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291584
2-ethoxy-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]naphthalene-1-carboxamide
CID 122316756
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]naphthalene-1-sulfonamide
CID 122316916
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-1-benzothiophene-2-carboxamide
CID 122316823
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
1-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122316949
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide
CID 122291817
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 50748504
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122316885

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide (CID 122316768) is N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide is Cc1ccnc(Nc2cc(Nc3ccc(NC(=O)Cc4cccc5ccccc45)cc3)nc(C)n2)c1.
What is the InChIKey of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is RHZZOLIOSJMQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c1-19-14-15-30-26(16-19)35-28-18-27(31-20(2)32-28)33-23-10-12-24(13-11-23)34-29(36)17-22-8-5-7-21-6-3-4-9-25(21)22/h3-16,18H,17H2,1-2H3,(H,34,36)(H2,30,31,32,33,35).
What are the key properties of N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide?
N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 474.57 g/mol, XLogP of 6.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 122316768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).