N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

C27H38N6O — CID 59225303

IUPACN-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCN1CCC(c2ccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cc2)CC1
InChIInChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)
InChIKeyKDVSDCOOYFNFIM-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.63
Rot. Bonds10

About N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide

N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (PubChem CID 59225303) has the molecular formula C27H38N6O and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
PubChem CID59225303
Molecular FormulaC27H38N6O
Molecular Weight462.64 g/mol
Exact Mass462.31
IUPAC NameN-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
SMILESCN1CCC(c2ccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cc2)CC1
InChIInChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32)
InChIKeyKDVSDCOOYFNFIM-UHFFFAOYSA-N
XLogP4.63
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide 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

2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(pyrrolidin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108903
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
8-methyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328637
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
8-ethyl-6-phenyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328647
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43
CID 5330229
8-cyclohexyl-N-methoxy-2-{[4-(1-methylpiperidin-4-yl)phenyl]amino}-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 25218663
Mrt-67307
CID 44464263
N-{3-[(5-cyclopropyl-2-{[4-(morpholin-4-yl)phenyl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
CID 44465558
N-(3-((5-Cyclopropyl-2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)amino)pyrimidin-4-yl)amino)propyl)cyclobutanecarboxamide
CID 59225335

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide (CID 59225303) is N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is CN1CCC(c2ccc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)cc2)CC1.
What is the InChIKey of N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
The InChIKey is KDVSDCOOYFNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O/c1-33-16-12-20(13-17-33)19-8-10-23(11-9-19)31-27-30-18-24(21-6-7-21)25(32-27)28-14-3-15-29-26(34)22-4-2-5-22/h8-11,18,20-22H,2-7,12-17H2,1H3,(H,29,34)(H2,28,30,31,32).
What are the key properties of N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide?
N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide has a molecular weight of 462.64 g/mol, XLogP of 4.63, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-cyclopropyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 59225303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).