2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide

C22H22Cl2N6O2 — CID 68673464

IUPAC2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
SMILESCc1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)nc(N2CCC[C@@H](O)C2)n1
InChIInChI=1S/C22H22Cl2N6O2/c1-13-10-19(29-22(26-13)30-9-3-4-15(31)12-30)28-18-11-14(7-8-25-18)27-21(32)20-16(23)5-2-6-17(20)24/h2,5-8,10-11,15,31H,3-4,9,12H2,1H3,(H2,25,26,27,28,29,32)/t15-/m1/s1
InChIKeyHDJUKXDYVHBVRN-OAHLLOKOSA-N
MW473.36 g/mol
LogP4.44
Rot. Bonds5

About 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide (PubChem CID 68673464) has the molecular formula C22H22Cl2N6O2 and a molecular weight of 473.36 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
PubChem CID68673464
Molecular FormulaC22H22Cl2N6O2
Molecular Weight473.36 g/mol
Exact Mass472.12
IUPAC Name2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
SMILESCc1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)nc(N2CCC[C@@H](O)C2)n1
InChIInChI=1S/C22H22Cl2N6O2/c1-13-10-19(29-22(26-13)30-9-3-4-15(31)12-30)28-18-11-14(7-8-25-18)27-21(32)20-16(23)5-2-6-17(20)24/h2,5-8,10-11,15,31H,3-4,9,12H2,1H3,(H2,25,26,27,28,29,32)/t15-/m1/s1
InChIKeyHDJUKXDYVHBVRN-OAHLLOKOSA-N
XLogP4.44
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.36
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide with MolForge

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Related Compounds

2,6-dichloro-N-[2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-4-pyridinyl]benzamide
CID 68673205
2,6-dichloro-N-[2-[[2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 118720009
N-[2-[[2-(azetidin-1-yl)-6-ethylpyrimidin-4-yl]amino]-4-pyridinyl]-2,6-dichlorobenzamide
CID 68672700
2,6-dichloro-N-[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672392
2-chloro-6-methyl-N-[2-[[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 70823675
2,6-dichloro-N-[2-[[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672618
2,6-dichloro-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672269
1-(2,6-dichlorophenyl)-2-[2-[[2-(2,6-dimethylmorpholin-4-yl)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]ethanone
CID 59618508
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
methyl 6-[[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 59617969
2,6-dichloro-N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672351
2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide
CID 59617943

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide (CID 68673464) is 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide is Cc1cc(Nc2cc(NC(=O)c3c(Cl)cccc3Cl)ccn2)nc(N2CCC[C@@H](O)C2)n1.
What is the InChIKey of 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
The InChIKey is HDJUKXDYVHBVRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22Cl2N6O2/c1-13-10-19(29-22(26-13)30-9-3-4-15(31)12-30)28-18-11-14(7-8-25-18)27-21(32)20-16(23)5-2-6-17(20)24/h2,5-8,10-11,15,31H,3-4,9,12H2,1H3,(H2,25,26,27,28,29,32)/t15-/m1/s1.
What are the key properties of 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide has a molecular weight of 473.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[2-[(3R)-3-hydroxypiperidin-1-yl]-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 68673464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).