3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide

C21H19N7O — CID 122300042

IUPAC3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1
InChIInChI=1S/C21H19N7O/c22-13-16-4-3-5-17(12-16)20(29)26-18-14-24-21(25-15-18)28-10-8-27(9-11-28)19-6-1-2-7-23-19/h1-7,12,14-15H,8-11H2,(H,26,29)
InChIKeyYMBCBBJJLVTJHL-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.32
Rot. Bonds4

About 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide

3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 122300042) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID122300042
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESN#Cc1cccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1
InChIInChI=1S/C21H19N7O/c22-13-16-4-3-5-17(12-16)20(29)26-18-14-24-21(25-15-18)28-10-8-27(9-11-28)19-6-1-2-7-23-19/h1-7,12,14-15H,8-11H2,(H,26,29)
InChIKeyYMBCBBJJLVTJHL-UHFFFAOYSA-N
XLogP2.32
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112848
N-(3-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174626
N-(3-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174704
4-tert-butyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112852
3-cyano-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 18143195
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
CID 121112867
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
3-cyano-N-(4-cyano-1-pyridin-2-ylpyrazol-5-yl)benzamide
CID 108738179
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
3-cyano-N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 95100216
4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299333
2-chloro-4-fluoro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112875

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 122300042) is 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide is N#Cc1cccc(C(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)c1.
What is the InChIKey of 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is YMBCBBJJLVTJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c22-13-16-4-3-5-17(12-16)20(29)26-18-14-24-21(25-15-18)28-10-8-27(9-11-28)19-6-1-2-7-23-19/h1-7,12,14-15H,8-11H2,(H,26,29).
What are the key properties of 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 385.43 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122300042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).