N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide

C23H23F2N5O3 — CID 135349205

IUPACN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cnc(C)nc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H23F2N5O3/c1-14-27-13-19(29-22(31)17-4-3-9-26-23(17)32-2)21(28-14)30-10-7-16(8-11-30)33-20-6-5-15(24)12-18(20)25/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,29,31)
InChIKeyWPZXKSWSISFJCB-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.77
Rot. Bonds6

About N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide

N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 135349205) has the molecular formula C23H23F2N5O3 and a molecular weight of 455.47 g/mol. Its IUPAC name is N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
PubChem CID135349205
Molecular FormulaC23H23F2N5O3
Molecular Weight455.47 g/mol
Exact Mass455.18
IUPAC NameN-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1cnc(C)nc1N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H23F2N5O3/c1-14-27-13-19(29-22(31)17-4-3-9-26-23(17)32-2)21(28-14)30-10-7-16(8-11-30)33-20-6-5-15(24)12-18(20)25/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,29,31)
InChIKeyWPZXKSWSISFJCB-UHFFFAOYSA-N
XLogP3.77
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-((3R,4S)-3-Fluoro-1-(2-(4-(trifluoromethoxy)phenyl)acetyl)piperidin-4-yloxy)-5-(1-methyl-1H-imidazol-4-yl)nicotinamide
CID 118167692
5-Chloro-2-ethyl-13-(2-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470679
5-Chloro-2-ethyl-13-(4-fluorophenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470681
2-Ethyl-5-fluoro-9-methyl-13-[(pyridin-4-yloxy)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470695
4-({2-Ethyl-5-fluoro-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methoxy)-1-oxidopyridin-1-ium
CID 470700
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 10
CID 57340657
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
CID 89907349
N,N-dimethyl-2-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10552132
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
Nevirapin 4-substituted deriv. 4c
CID 464523

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide (CID 135349205) is N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)Nc1cnc(C)nc1N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is WPZXKSWSISFJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O3/c1-14-27-13-19(29-22(31)17-4-3-9-26-23(17)32-2)21(28-14)30-10-7-16(8-11-30)33-20-6-5-15(24)12-18(20)25/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3,(H,29,31).
What are the key properties of N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide?
N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-2-methylpyrimidin-5-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 135349205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).