2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide

C23H23F2N5O3 — CID 157189945

IUPAC2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide
SMILESCCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3F)cn2)c1
InChIInChI=1S/C23H23F2N5O3/c1-2-32-20-8-16(24)12-29-23(20)33-17-7-14(9-26-13-17)21-27-10-15(11-28-21)22(31)30-19-6-4-3-5-18(19)25/h7-13,18-19H,2-6H2,1H3,(H,30,31)/t18-,19+/m0/s1
InChIKeyMQFXQLSAHDZZQE-RBUKOAKNSA-N
MW455.47 g/mol
LogP4.27
Rot. Bonds7

About 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide

2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide (PubChem CID 157189945) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide
PubChem CID157189945
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC Name2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide
SMILESCCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3F)cn2)c1
InChIInChI=1S/C23H23F2N5O3/c1-2-32-20-8-16(24)12-29-23(20)33-17-7-14(9-26-13-17)21-27-10-15(11-28-21)22(31)30-19-6-4-3-5-18(19)25/h7-13,18-19H,2-6H2,1H3,(H,30,31)/t18-,19+/m0/s1
InChIKeyMQFXQLSAHDZZQE-RBUKOAKNSA-N
XLogP4.27
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid
CID 134262723
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104785617
3-amino-4-ethoxy-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 106358670
2-[6-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 155725116
N-[(1R,2R)-2-fluorocyclohexyl]-2-methyl-1H-imidazole-5-carboxamide
CID 126791063
3-amino-5-ethoxy-N-(2-methylcycloheptyl)benzamide
CID 81094286
N-[2-(chloromethyl)cyclopentyl]-4-ethoxybenzamide
CID 106365883
N'-(2-ethoxy-4-fluorophenyl)-N-(2-propan-2-ylcyclohexyl)oxamide
CID 86888697
N-[2-(chloromethyl)cyclohexyl]-3,5-difluorobenzamide
CID 114179554
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide (CID 157189945) is 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide is CCOc1cc(F)cnc1Oc1cncc(-c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3F)cn2)c1.
What is the InChIKey of 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is MQFXQLSAHDZZQE-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-2-32-20-8-16(24)12-29-23(20)33-17-7-14(9-26-13-17)21-27-10-15(11-28-21)22(31)30-19-6-4-3-5-18(19)25/h7-13,18-19H,2-6H2,1H3,(H,30,31)/t18-,19+/m0/s1.
What are the key properties of 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide?
2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-ethoxy-5-fluoro-2-pyridinyl)oxy]-3-pyridinyl]-N-[(1R,2S)-2-fluorocyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 157189945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).