2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide

C17H23FN4O2 — CID 163757243

IUPAC2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(C3=CC(F)CCC3)CCCCC2)nc1
InChIInChI=1S/C17H23FN4O2/c18-14-6-4-5-13(9-14)17(7-2-1-3-8-17)21-16-19-10-12(11-20-16)15(23)22-24/h9-11,14,24H,1-8H2,(H,22,23)(H,19,20,21)
InChIKeyLVDGZQHLOMDGMT-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.16
Rot. Bonds4

About 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 163757243) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID163757243
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(C3=CC(F)CCC3)CCCCC2)nc1
InChIInChI=1S/C17H23FN4O2/c18-14-6-4-5-13(9-14)17(7-2-1-3-8-17)21-16-19-10-12(11-20-16)15(23)22-24/h9-11,14,24H,1-8H2,(H,22,23)(H,19,20,21)
InChIKeyLVDGZQHLOMDGMT-UHFFFAOYSA-N
XLogP3.16
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-[[1-(hydroxymethyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 155469324
2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 74763717
2-[[1-(3,5-difluorophenyl)cyclobutyl]amino]pyrimidine-5-carbohydrazide;ethane
CID 145295547
N-hydroxy-2-[[1-(methylcarbamoyl)-4-phenylpiperidin-4-yl]amino]pyrimidine-5-carboxamide
CID 118005584
2-cyclopropyl-N-[1-(4-fluorophenyl)cyclopentyl]pyrimidine-5-carboxamide
CID 136545691
N'-(3,3-difluoroprop-1-en-2-yl)-2-[[1-(4-methylphenyl)cyclobutyl]amino]pyrimidine-5-carbohydrazide
CID 129056588
N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125578
ethane;2-[[1-[4-(1-propan-2-ylpiperidin-4-yl)phenyl]cyclobutyl]amino]pyrimidine-5-carbohydrazide
CID 145295674
2-[[1-(3,4-difluorophenyl)cyclopropyl]amino]pyrimidine-5-carbohydrazide;ethane
CID 145295643
ethane;2-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]amino]pyrimidine-5-carbohydrazide
CID 145295636
benzyl 4-[[5-(hydroxycarbamoyl)pyrimidin-2-yl]amino]-4-phenylpiperidine-1-carboxylate
CID 118005857
7-(cyclobutylmethyl)-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125281

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 163757243) is 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(C3=CC(F)CCC3)CCCCC2)nc1.
What is the InChIKey of 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is LVDGZQHLOMDGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c18-14-6-4-5-13(9-14)17(7-2-1-3-8-17)21-16-19-10-12(11-20-16)15(23)22-24/h9-11,14,24H,1-8H2,(H,22,23)(H,19,20,21).
What are the key properties of 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorocyclohexen-1-yl)cyclohexyl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 163757243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).