N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide

C24H27FN4O — CID 146470851

IUPACN-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(C)nc1)C1CCC(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C24H27FN4O/c1-3-22(29-24(30)18-13-27-15(2)28-14-18)17-9-7-16(8-10-17)19-11-12-26-23-20(19)5-4-6-21(23)25/h4-6,11-14,16-17,22H,3,7-10H2,1-2H3,(H,29,30)
InChIKeyFBQPPOGWOUIIPO-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.95
Rot. Bonds5

About N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide

N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 146470851) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide
PubChem CID146470851
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC NameN-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(C)nc1)C1CCC(c2ccnc3c(F)cccc23)CC1
InChIInChI=1S/C24H27FN4O/c1-3-22(29-24(30)18-13-27-15(2)28-14-18)17-9-7-16(8-10-17)19-11-12-26-23-20(19)5-4-6-21(23)25/h4-6,11-14,16-17,22H,3,7-10H2,1-2H3,(H,29,30)
InChIKeyFBQPPOGWOUIIPO-UHFFFAOYSA-N
XLogP4.95
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide
CID 146470875
4-(4-ethylcyclohexyl)-8-fluoroquinoline
CID 155416400
N-(4-chlorophenyl)-2-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propanamide
CID 129088634
4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
CID 164622087
6-methoxy-N-[(1R)-1-[4-(4-methyl-2-pyridinyl)cyclohexyl]propyl]pyridine-3-carboxamide
CID 146482219
N-[(1S)-2-ethoxy-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide
CID 146482222
N-[(1R)-2-ethoxy-1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide
CID 142471243
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
CID 63189612
N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614
N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide
CID 119613240
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]pyridine-4-carboxamide
CID 146470800

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide (CID 146470851) is N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide is CCC(NC(=O)c1cnc(C)nc1)C1CCC(c2ccnc3c(F)cccc23)CC1.
What is the InChIKey of N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is FBQPPOGWOUIIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-3-22(29-24(30)18-13-27-15(2)28-14-18)17-9-7-16(8-10-17)19-11-12-26-23-20(19)5-4-6-21(23)25/h4-6,11-14,16-17,22H,3,7-10H2,1-2H3,(H,29,30).
What are the key properties of N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide?
N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 146470851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).