2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide

C18H14Cl2N4O2 — CID 59618575

IUPAC2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(Nc2ccc(CO)cn2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N4O2/c19-13-2-1-3-14(20)17(13)18(26)23-12-6-7-21-16(8-12)24-15-5-4-11(10-25)9-22-15/h1-9,25H,10H2,(H2,21,22,23,24,26)
InChIKeyKHBCZHQZFYFODU-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.27
Rot. Bonds5

About 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide (PubChem CID 59618575) has the molecular formula C18H14Cl2N4O2 and a molecular weight of 389.24 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide
PubChem CID59618575
Molecular FormulaC18H14Cl2N4O2
Molecular Weight389.24 g/mol
Exact Mass388.05
IUPAC Name2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(Nc2ccc(CO)cn2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H14Cl2N4O2/c19-13-2-1-3-14(20)17(13)18(26)23-12-6-7-21-16(8-12)24-15-5-4-11(10-25)9-22-15/h1-9,25H,10H2,(H2,21,22,23,24,26)
InChIKeyKHBCZHQZFYFODU-UHFFFAOYSA-N
XLogP4.27
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[2-[[5-(dimethylamino)-2-pyridinyl]amino]-4-pyridinyl]benzamide
CID 59618178
N-[2-(benzylcarbamoylamino)-4-pyridinyl]-2,6-dichlorobenzamide
CID 59618071
methyl 6-[[4-[(2,6-dichlorobenzoyl)amino]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 59617969
2,6-dichloro-N-[2-[(5-cyano-6-methyl-2-pyridinyl)amino]-4-pyridinyl]benzamide
CID 59617943
2,6-dichloro-N-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]benzamide
CID 59618340
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360
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
2,6-dichloro-N-[2-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672392
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
2,6-dichloro-N-[2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618118
2,6-dichloro-N-[2-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 68672351

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide (CID 59618575) is 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide is O=C(Nc1ccnc(Nc2ccc(CO)cn2)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide?
The InChIKey is KHBCZHQZFYFODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2/c19-13-2-1-3-14(20)17(13)18(26)23-12-6-7-21-16(8-12)24-15-5-4-11(10-25)9-22-15/h1-9,25H,10H2,(H2,21,22,23,24,26).
What are the key properties of 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide has a molecular weight of 389.24 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[5-(hydroxymethyl)-2-pyridinyl]amino]-4-pyridinyl]benzamide is sourced from PubChem (CID 59618575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).