N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide

C25H27F3N4O3 — CID 23934588

IUPACN-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3ccc(F)cc3)CCCN2C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C25H27F3N4O3/c26-17-4-2-15(3-5-17)24(34)31-10-1-11-32(25(35)16-12-18(27)14-19(28)13-16)23(31)22(33)30-21-8-6-20(29)7-9-21/h2-5,12-14,20-21,23H,1,6-11,29H2,(H,30,33)
InChIKeyYKQZQVQFBZJUED-UHFFFAOYSA-N
MW488.51 g/mol
LogP2.80
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide

N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide (PubChem CID 23934588) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
PubChem CID23934588
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC NameN-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3ccc(F)cc3)CCCN2C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C25H27F3N4O3/c26-17-4-2-15(3-5-17)24(34)31-10-1-11-32(25(35)16-12-18(27)14-19(28)13-16)23(31)22(33)30-21-8-6-20(29)7-9-21/h2-5,12-14,20-21,23H,1,6-11,29H2,(H,30,33)
InChIKeyYKQZQVQFBZJUED-UHFFFAOYSA-N
XLogP2.80
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23912600
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide
CID 23791308
N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-[2-(4-methoxyphenyl)acetyl]-1,3-diazinane-2-carboxamide
CID 23761700
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23821876
2-N-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23876800
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23762658
N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
CID 23903155
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide
CID 23883208
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)sulfonyl-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23935371
N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide
CID 23769733
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
CID 23941237

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide (CID 23934588) is N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide is NC1CCC(NC(=O)C2N(C(=O)c3ccc(F)cc3)CCCN2C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide?
The InChIKey is YKQZQVQFBZJUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c26-17-4-2-15(3-5-17)24(34)31-10-1-11-32(25(35)16-12-18(27)14-19(28)13-16)23(31)22(33)30-21-8-6-20(29)7-9-21/h2-5,12-14,20-21,23H,1,6-11,29H2,(H,30,33).
What are the key properties of N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide?
N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide has a molecular weight of 488.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide is sourced from PubChem (CID 23934588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).