4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

C24H28F2N4O2 — CID 90290829

IUPAC4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNC(C(=O)NCC1(c2ccc(F)c(F)c2)CC1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C24H28F2N4O2/c25-19-6-5-17(13-20(19)26)24(9-10-24)14-29-23(32)21(27)15-1-3-16(4-2-15)22(31)30-18-7-11-28-12-8-18/h5-8,11-13,15-16,21H,1-4,9-10,14,27H2,(H,29,32)(H,28,30,31)
InChIKeyYLVZIVXCXGMSCO-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.28
Rot. Bonds7

About 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide

4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (PubChem CID 90290829) has the molecular formula C24H28F2N4O2 and a molecular weight of 442.51 g/mol. Its IUPAC name is 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
PubChem CID90290829
Molecular FormulaC24H28F2N4O2
Molecular Weight442.51 g/mol
Exact Mass442.22
IUPAC Name4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
SMILESNC(C(=O)NCC1(c2ccc(F)c(F)c2)CC1)C1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C24H28F2N4O2/c25-19-6-5-17(13-20(19)26)24(9-10-24)14-29-23(32)21(27)15-1-3-16(4-2-15)22(31)30-18-7-11-28-12-8-18/h5-8,11-13,15-16,21H,1-4,9-10,14,27H2,(H,29,32)(H,28,30,31)
InChIKeyYLVZIVXCXGMSCO-UHFFFAOYSA-N
XLogP3.28
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

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-(4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290815
4-[1-amino-2-[[1-(4-fluorophenyl)cyclobutyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290812
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
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-(2,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86762956
4-[1-amino-2-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylpiperidine-1-carboxamide
CID 86763007
4-[1-amino-2-(2,3-dihydro-1-benzofuran-3-ylamino)-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 90290908
4-[1-amino-2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
CID 86762901
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-(1-formylpiperidin-4-yl)acetamide
CID 166932367
2-amino-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788149
1-(3,4-difluorophenyl)-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 113214427

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide (CID 90290829) is 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is NC(C(=O)NCC1(c2ccc(F)c(F)c2)CC1)C1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
The InChIKey is YLVZIVXCXGMSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N4O2/c25-19-6-5-17(13-20(19)26)24(9-10-24)14-29-23(32)21(27)15-1-3-16(4-2-15)22(31)30-18-7-11-28-12-8-18/h5-8,11-13,15-16,21H,1-4,9-10,14,27H2,(H,29,32)(H,28,30,31).
What are the key properties of 4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide?
4-[1-amino-2-[[1-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide has a molecular weight of 442.51 g/mol, XLogP of 3.28, 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-(3,4-difluorophenyl)cyclopropyl]methylamino]-2-oxoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 90290829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).