4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

C25H31FN4O2 — CID 90290812

IUPAC4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNC(C(=O)NCC1(c2ccc(F)cc2)CCC1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C25H31FN4O2/c26-20-8-6-19(7-9-20)25(12-1-13-25)16-29-24(32)22(27)17-2-4-18(5-3-17)23(31)30-21-10-14-28-15-11-21/h6-11,14-15,17-18,22H,1-5,12-13,16,27H2,(H,29,32)(H,28,30,31)
InChIKeyWEHPFQHEGOZKLW-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.53
Rot. Bonds7

About 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 90290812) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID90290812
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNC(C(=O)NCC1(c2ccc(F)cc2)CCC1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C25H31FN4O2/c26-20-8-6-19(7-9-20)25(12-1-13-25)16-29-24(32)22(27)17-2-4-18(5-3-17)23(31)30-21-10-14-28-15-11-21/h6-11,14-15,17-18,22H,1-5,12-13,16,27H2,(H,29,32)(H,28,30,31)
InChIKeyWEHPFQHEGOZKLW-UHFFFAOYSA-N
XLogP3.53
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

4-[1-amino-2-[[1-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290815
4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290831
4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290829
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290813
4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;tert-butyl N-[2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxo-1-[4-(pyridin-4-ylcarbamoyl)cyclohexyl]ethyl]carbamate
CID 161354963
2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
2-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789789
4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 86762901
4-[1-amino-2-[[1-(4-chlorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide
CID 90290850
4-[1-amino-2-[[1-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762956
4-[1-amino-2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 166932117
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-4-carboxamide
CID 119310492

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 90290812) is 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is NC(C(=O)NCC1(c2ccc(F)cc2)CCC1)C1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is WEHPFQHEGOZKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O2/c26-20-8-6-19(7-9-20)25(12-1-13-25)16-29-24(32)22(27)17-2-4-18(5-3-17)23(31)30-21-10-14-28-15-11-21/h6-11,14-15,17-18,22H,1-5,12-13,16,27H2,(H,29,32)(H,28,30,31).
What are the key properties of 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 90290812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).