N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide

C27H28N6O — CID 68754492

IUPACN-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncc2cc(-c3ccccc3)c(-c3ccc(NC4CCC4)cc3)nc2n1
InChIInChI=1S/C27H28N6O/c1-18(34)28-14-15-29-27-30-17-21-16-24(19-6-3-2-4-7-19)25(32-26(21)33-27)20-10-12-23(13-11-20)31-22-8-5-9-22/h2-4,6-7,10-13,16-17,22,31H,5,8-9,14-15H2,1H3,(H,28,34)(H,29,30,32,33)
InChIKeyHUTNFNBWKYJHJJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.87
Rot. Bonds8

About N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide

N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide (PubChem CID 68754492) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide
PubChem CID68754492
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC NameN-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1ncc2cc(-c3ccccc3)c(-c3ccc(NC4CCC4)cc3)nc2n1
InChIInChI=1S/C27H28N6O/c1-18(34)28-14-15-29-27-30-17-21-16-24(19-6-3-2-4-7-19)25(32-26(21)33-27)20-10-12-23(13-11-20)31-22-8-5-9-22/h2-4,6-7,10-13,16-17,22,31H,5,8-9,14-15H2,1H3,(H,28,34)(H,29,30,32,33)
InChIKeyHUTNFNBWKYJHJJ-UHFFFAOYSA-N
XLogP4.87
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide with MolForge

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Related Compounds

4-[[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]butan-1-ol
CID 67002267
N-[2-(4-phenylanilino)ethyl]acetamide
CID 103604100
1-[7-[4-[6-[[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]-1-(cyclobutylamino)-1-hydroxyhexyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-3-ol
CID 90843866
butane;4-[2-(dipropylamino)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]benzaldehyde;propan-2-one
CID 143208173
1-[4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]ethanone;dihydrochloride
CID 173038104
ethyl 4-[(4,5-diphenylpyrimidin-2-yl)amino]cyclohexane-1-carboxylate
CID 68580771
7-[4-[[4-[(2-cyanopyrimidin-4-yl)amino]piperidin-1-yl]methyl]phenyl]-6-phenylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 177349753
N-(2-acetamidoethyl)-4-(cyclopentylamino)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 71553008
N-[4-[[4-(cyclopentylamino)-6-phenylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112934396
4-[7-[4-(1-aminocyclobutyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]-2,2-dimethylbutan-1-ol
CID 58524549
N-[2-[[4-[(2-bromo-3-phenylphenyl)methoxy]-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 166544473
2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 59421319

Frequently Asked Questions

What is the IUPAC name of N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide (CID 68754492) is N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide is CC(=O)NCCNc1ncc2cc(-c3ccccc3)c(-c3ccc(NC4CCC4)cc3)nc2n1.
What is the InChIKey of N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide?
The InChIKey is HUTNFNBWKYJHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-18(34)28-14-15-29-27-30-17-21-16-24(19-6-3-2-4-7-19)25(32-26(21)33-27)20-10-12-23(13-11-20)31-22-8-5-9-22/h2-4,6-7,10-13,16-17,22,31H,5,8-9,14-15H2,1H3,(H,28,34)(H,29,30,32,33).
What are the key properties of N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide?
N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide has a molecular weight of 452.56 g/mol, XLogP of 4.87, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[7-[4-(cyclobutylamino)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]acetamide is sourced from PubChem (CID 68754492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).