N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide

C21H27FN4O3 — CID 146470875

IUPACN-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(OC)nc1)C1CCC(c2ccnc(OC)c2F)CC1
InChIInChI=1S/C21H27FN4O3/c1-4-17(26-19(27)15-11-24-21(29-3)25-12-15)14-7-5-13(6-8-14)16-9-10-23-20(28-2)18(16)22/h9-14,17H,4-8H2,1-3H3,(H,26,27)
InChIKeyLUYSGVZTJJOBLT-UHFFFAOYSA-N
MW402.47 g/mol
LogP3.51
Rot. Bonds7

About N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide

N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide (PubChem CID 146470875) has the molecular formula C21H27FN4O3 and a molecular weight of 402.47 g/mol. Its IUPAC name is N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide
PubChem CID146470875
Molecular FormulaC21H27FN4O3
Molecular Weight402.47 g/mol
Exact Mass402.21
IUPAC NameN-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide
SMILESCCC(NC(=O)c1cnc(OC)nc1)C1CCC(c2ccnc(OC)c2F)CC1
InChIInChI=1S/C21H27FN4O3/c1-4-17(26-19(27)15-11-24-21(29-3)25-12-15)14-7-5-13(6-8-14)16-9-10-23-20(28-2)18(16)22/h9-14,17H,4-8H2,1-3H3,(H,26,27)
InChIKeyLUYSGVZTJJOBLT-UHFFFAOYSA-N
XLogP3.51
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide with MolForge

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Related Compounds

4-chloro-N-[(1R)-1-[4-(2-methoxy-3-pyridinyl)cyclohexyl]propyl]benzamide
CID 164622087
ethyl 2-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]butanoate
CID 142471167
N-[1-[4-(8-fluoroquinolin-4-yl)cyclohexyl]propyl]-2-methylpyrimidine-5-carboxamide
CID 146470851
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
methyl 2-[4-(2-methoxy-3-methyl-4-pyridinyl)cyclohexyl]butanoate
CID 146470863
N-(1-cyclohexylpropyl)-2,3-difluoropyridine-4-carboxamide
CID 105381145
N-[(1R)-2-ethoxy-1-[4-[6-(trifluoromethyl)quinolin-4-yl]cyclohexyl]ethyl]-6-methoxypyridine-3-carboxamide
CID 142471243
4-cyclopropyl-2-methoxypyridin-3-ol
CID 170641670
(3S)-3-[4-(2-fluoro-3-methyl-4-pyridinyl)cyclohexyl]-1-(6-methoxy-3-pyridinyl)pentan-1-one
CID 159631120
N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
CID 63189612
N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide?
The IUPAC name of N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide (CID 146470875) is N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide is CCC(NC(=O)c1cnc(OC)nc1)C1CCC(c2ccnc(OC)c2F)CC1.
What is the InChIKey of N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide?
The InChIKey is LUYSGVZTJJOBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O3/c1-4-17(26-19(27)15-11-24-21(29-3)25-12-15)14-7-5-13(6-8-14)16-9-10-23-20(28-2)18(16)22/h9-14,17H,4-8H2,1-3H3,(H,26,27).
What are the key properties of N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide?
N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-fluoro-2-methoxy-4-pyridinyl)cyclohexyl]propyl]-2-methoxypyrimidine-5-carboxamide is sourced from PubChem (CID 146470875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).