3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide

C17H20N4O2 — CID 119494679

IUPAC3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCNCC3)cn2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-4-2-3-13(11-15)17(22)20-16-6-5-14(12-19-16)21-9-7-18-8-10-21/h2-6,11-12,18H,7-10H2,1H3,(H,19,20,22)
InChIKeyYVLPGGCZQXARLG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.75
Rot. Bonds4

About 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide

3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide (PubChem CID 119494679) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
PubChem CID119494679
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCNCC3)cn2)c1
InChIInChI=1S/C17H20N4O2/c1-23-15-4-2-3-13(11-15)17(22)20-16-6-5-14(12-19-16)21-9-7-18-8-10-21/h2-6,11-12,18H,7-10H2,1H3,(H,19,20,22)
InChIKeyYVLPGGCZQXARLG-UHFFFAOYSA-N
XLogP1.75
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494063
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091
N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 113031155
2-oxo-N-(5-piperazin-1-yl-2-pyridinyl)-1H-pyridine-4-carboxamide;hydrochloride
CID 119494214
6-methyl-N-(5-piperazin-1-yl-2-pyridinyl)pyridine-3-carboxamide;dihydrochloride
CID 119494408
N-[5-(azepan-1-yl)-2-pyridinyl]-4-methoxybenzamide
CID 39072257
5-chloro-2-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494570
N-(5-piperazin-1-yl-2-pyridinyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119494632
N-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119494454
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
N-(5-piperazin-1-yl-2-pyridinyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119494136

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide (CID 119494679) is 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide is COc1cccc(C(=O)Nc2ccc(N3CCNCC3)cn2)c1.
What is the InChIKey of 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
The InChIKey is YVLPGGCZQXARLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-23-15-4-2-3-13(11-15)17(22)20-16-6-5-14(12-19-16)21-9-7-18-8-10-21/h2-6,11-12,18H,7-10H2,1H3,(H,19,20,22).
What are the key properties of 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide?
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 119494679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).