N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

C22H17ClN6O2 — CID 71603052

IUPACN-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C22H17ClN6O2/c1-31-19-6-4-14(21(30)29-20-7-5-16(23)13-26-20)11-18(19)28-22-25-10-8-17(27-22)15-3-2-9-24-12-15/h2-13H,1H3,(H,25,27,28)(H,26,29,30)
InChIKeyHLJBZHSCDRMCLN-UHFFFAOYSA-N
MW432.87 g/mol
LogP4.59
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide

N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 71603052) has the molecular formula C22H17ClN6O2 and a molecular weight of 432.87 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID71603052
Molecular FormulaC22H17ClN6O2
Molecular Weight432.87 g/mol
Exact Mass432.11
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Nc1nccc(-c2cccnc2)n1
InChIInChI=1S/C22H17ClN6O2/c1-31-19-6-4-14(21(30)29-20-7-5-16(23)13-26-20)11-18(19)28-22-25-10-8-17(27-22)15-3-2-9-24-12-15/h2-13H,1H3,(H,25,27,28)(H,26,29,30)
InChIKeyHLJBZHSCDRMCLN-UHFFFAOYSA-N
XLogP4.59
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide (CID 71603052) is N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is COc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1Nc1nccc(-c2cccnc2)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is HLJBZHSCDRMCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN6O2/c1-31-19-6-4-14(21(30)29-20-7-5-16(23)13-26-20)11-18(19)28-22-25-10-8-17(27-22)15-3-2-9-24-12-15/h2-13H,1H3,(H,25,27,28)(H,26,29,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide?
N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 432.87 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-methoxy-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 71603052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).