3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride

C22H22ClF3N6O2 — CID 126745065

IUPAC3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride
SMILESCl.Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cncnc1OCC1CCNCC1
InChIInChI=1S/C22H21F3N6O2.ClH/c23-13-2-1-3-14(24)18(13)19-15(25)8-16(26)20(31-19)21(32)30-17-9-28-11-29-22(17)33-10-12-4-6-27-7-5-12;/h1-3,8-9,11-12,27H,4-7,10,26H2,(H,30,32);1H
InChIKeyUQKDFWFQUIXPJZ-UHFFFAOYSA-N
MW494.91 g/mol
LogP3.59
Rot. Bonds6

About 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride

3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride (PubChem CID 126745065) has the molecular formula C22H22ClF3N6O2 and a molecular weight of 494.91 g/mol. Its IUPAC name is 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride
PubChem CID126745065
Molecular FormulaC22H22ClF3N6O2
Molecular Weight494.91 g/mol
Exact Mass494.14
IUPAC Name3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride
SMILESCl.Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cncnc1OCC1CCNCC1
InChIInChI=1S/C22H21F3N6O2.ClH/c23-13-2-1-3-14(24)18(13)19-15(25)8-16(26)20(31-19)21(32)30-17-9-28-11-29-22(17)33-10-12-4-6-27-7-5-12;/h1-3,8-9,11-12,27H,4-7,10,26H2,(H,30,32);1H
InChIKeyUQKDFWFQUIXPJZ-UHFFFAOYSA-N
XLogP3.59
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.91
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane
CID 145420311
3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126707105
3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide;ethane
CID 145274432
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717740
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]pyridine-2-carboxamide
CID 71261907
3-amino-N-[5-(azepan-4-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717936
5-amino-2-(2,6-difluorophenyl)-N-[4-(4-hydroxypentoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 71261535
3-amino-N-[4-[(1R,5R)-5-amino-3-methylcyclohex-3-en-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 73213347
3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 67208312
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[4-(methylamino)butoxy]pyrimidin-5-yl]pyridine-2-carboxamide
CID 118416958
6-(2,6-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]pyrimidin-5-yl]-5-fluoropyridine-2-carboxamide
CID 118416976
3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744038

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride (CID 126745065) is 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride is Cl.Nc1cc(F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cncnc1OCC1CCNCC1.
What is the InChIKey of 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is UQKDFWFQUIXPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2.ClH/c23-13-2-1-3-14(24)18(13)19-15(25)8-16(26)20(31-19)21(32)30-17-9-28-11-29-22(17)33-10-12-4-6-27-7-5-12;/h1-3,8-9,11-12,27H,4-7,10,26H2,(H,30,32);1H.
What are the key properties of 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride?
3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 494.91 g/mol, XLogP of 3.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 126745065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).