3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide

C17H13Cl2N5O — CID 51038160

IUPAC3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide
SMILESCN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H13Cl2N5O/c1-24(14-8-20-10-21-9-14)13-6-15(19)22-16(7-13)23-17(25)11-3-2-4-12(18)5-11/h2-10H,1H3,(H,22,23,25)
InChIKeyHAJLDSVGYSQWEY-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.20
Rot. Bonds4

About 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide

3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide (PubChem CID 51038160) has the molecular formula C17H13Cl2N5O and a molecular weight of 374.23 g/mol. Its IUPAC name is 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide
PubChem CID51038160
Molecular FormulaC17H13Cl2N5O
Molecular Weight374.23 g/mol
Exact Mass373.05
IUPAC Name3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide
SMILESCN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H13Cl2N5O/c1-24(14-8-20-10-21-9-14)13-6-15(19)22-16(7-13)23-17(25)11-3-2-4-12(18)5-11/h2-10H,1H3,(H,22,23,25)
InChIKeyHAJLDSVGYSQWEY-UHFFFAOYSA-N
XLogP4.20
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-3-cyanobenzamide
CID 58349166
3-chloro-N-[3-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
CID 58337699
3-chloro-N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]benzamide
CID 58337731
3-bromo-N-[2-fluoro-5-[methyl(pyrimidin-5-yl)amino]phenyl]benzamide
CID 58337626
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034080
3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
3-chloro-N-(4,6-dichloropyrimidin-5-yl)benzamide
CID 114074797
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide?
The IUPAC name of 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide (CID 51038160) is 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide is CN(c1cncnc1)c1cc(Cl)nc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide?
The InChIKey is HAJLDSVGYSQWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O/c1-24(14-8-20-10-21-9-14)13-6-15(19)22-16(7-13)23-17(25)11-3-2-4-12(18)5-11/h2-10H,1H3,(H,22,23,25).
What are the key properties of 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide?
3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide has a molecular weight of 374.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-chloro-4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 51038160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).