N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide

C17H16BrN5O2 — CID 155219529

IUPACN-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide
SMILESN#Cc1ncc(OC2CCC(NC(=O)c3cncnc3)CC2)cc1Br
InChIInChI=1S/C17H16BrN5O2/c18-15-5-14(9-22-16(15)6-19)25-13-3-1-12(2-4-13)23-17(24)11-7-20-10-21-8-11/h5,7-10,12-13H,1-4H2,(H,23,24)
InChIKeyLAYNTWNMDDKOPD-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.63
Rot. Bonds4

About N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide

N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide (PubChem CID 155219529) has the molecular formula C17H16BrN5O2 and a molecular weight of 402.25 g/mol. Its IUPAC name is N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide
PubChem CID155219529
Molecular FormulaC17H16BrN5O2
Molecular Weight402.25 g/mol
Exact Mass401.05
IUPAC NameN-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide
SMILESN#Cc1ncc(OC2CCC(NC(=O)c3cncnc3)CC2)cc1Br
InChIInChI=1S/C17H16BrN5O2/c18-15-5-14(9-22-16(15)6-19)25-13-3-1-12(2-4-13)23-17(24)11-7-20-10-21-8-11/h5,7-10,12-13H,1-4H2,(H,23,24)
InChIKeyLAYNTWNMDDKOPD-UHFFFAOYSA-N
XLogP2.63
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrazine-2-carboxamide
CID 155219537
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]pyrazine-2-carboxamide
CID 155219534
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
CID 155219255
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
N-[(1R,3R)-3-(4-cyano-3,5-dimethylphenoxy)cyclopentyl]-2-methylpyrimidine-5-carboxamide
CID 163267588
6-tert-butyl-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridine-3-carboxamide
CID 176795444
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218567
N-[4-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl]-2-methyltetrazole-5-carboxamide
CID 155218576
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218830
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-fluorobenzamide
CID 91626145
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
N-[4-[(5-chloro-6-cyano-3-pyridinyl)oxy]cyclohexyl]-2-(methyldiazenyl)-2-methyliminoacetamide
CID 155218395

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide (CID 155219529) is N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide is N#Cc1ncc(OC2CCC(NC(=O)c3cncnc3)CC2)cc1Br.
What is the InChIKey of N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is LAYNTWNMDDKOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN5O2/c18-15-5-14(9-22-16(15)6-19)25-13-3-1-12(2-4-13)23-17(24)11-7-20-10-21-8-11/h5,7-10,12-13H,1-4H2,(H,23,24).
What are the key properties of N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide?
N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 402.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromo-6-cyano-3-pyridinyl)oxy]cyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155219529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).