2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide

C16H10Cl2N4O — CID 3758610

IUPAC2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1ccnc(-c2cccnc2)n1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H10Cl2N4O/c17-12-5-1-4-11(14(12)18)16(23)22-13-6-8-20-15(21-13)10-3-2-7-19-9-10/h1-9H,(H,20,21,22,23)
InChIKeyDHSKQXVQBJNEDH-UHFFFAOYSA-N
MW345.19 g/mol
LogP4.10
Rot. Bonds3

About 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide

2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide (PubChem CID 3758610) has the molecular formula C16H10Cl2N4O and a molecular weight of 345.19 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
PubChem CID3758610
Molecular FormulaC16H10Cl2N4O
Molecular Weight345.19 g/mol
Exact Mass344.02
IUPAC Name2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1ccnc(-c2cccnc2)n1)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H10Cl2N4O/c17-12-5-1-4-11(14(12)18)16(23)22-13-6-8-20-15(21-13)10-3-2-7-19-9-10/h1-9H,(H,20,21,22,23)
InChIKeyDHSKQXVQBJNEDH-UHFFFAOYSA-N
XLogP4.10
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 6p
CID 70702144
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886
6-(2,6-Dichlorophenyl)-8-methyl-2-(pyridin-3-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327887
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890
Pyrido[2,3-d]pyrimidin-7-one deriv. 13
CID 5328633
1,6-naphthyridin-2(1H)-one deriv. 7o
CID 5328714
Pyrimidine-4-carboxamide, 65
CID 44520946
2,6-Dichloro-N-{2-[(Cyclopropylcarbonyl)amino]pyridin-4-Yl}benzamide
CID 49839561
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide (CID 3758610) is 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide is O=C(Nc1ccnc(-c2cccnc2)n1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
The InChIKey is DHSKQXVQBJNEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O/c17-12-5-1-4-11(14(12)18)16(23)22-13-6-8-20-15(21-13)10-3-2-7-19-9-10/h1-9H,(H,20,21,22,23).
What are the key properties of 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide?
2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide has a molecular weight of 345.19 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-pyridin-3-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 3758610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).