formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

C24H24N4O5 — CID 171339020

IUPACformic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOc1cnc(-c2cccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c2)nc1.O=CO
InChIInChI=1S/C23H22N4O3.CH2O2/c1-30-20-14-24-21(25-15-20)16-6-4-7-17(12-16)22(28)26-19-9-5-8-18(13-19)23(29)27-10-2-3-11-27;2-1-3/h4-9,12-15H,2-3,10-11H2,1H3,(H,26,28);1H,(H,2,3)
InChIKeyVESMFPXEEJMMBJ-UHFFFAOYSA-N
MW448.48 g/mol
LogP3.34
Rot. Bonds5

About formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 171339020) has the molecular formula C24H24N4O5 and a molecular weight of 448.48 g/mol. Its IUPAC name is formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Nameformic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID171339020
Molecular FormulaC24H24N4O5
Molecular Weight448.48 g/mol
Exact Mass448.17
IUPAC Nameformic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCOc1cnc(-c2cccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c2)nc1.O=CO
InChIInChI=1S/C23H22N4O3.CH2O2/c1-30-20-14-24-21(25-15-20)16-6-4-7-17(12-16)22(28)26-19-9-5-8-18(13-19)23(29)27-10-2-3-11-27;2-1-3/h4-9,12-15H,2-3,10-11H2,1H3,(H,26,28);1H,(H,2,3)
InChIKeyVESMFPXEEJMMBJ-UHFFFAOYSA-N
XLogP3.34
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 169417027
4-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]pyridine-2-carboxamide
CID 99249750
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
N-[3-(azepane-1-carbonyl)phenyl]-3-bromo-4-methoxybenzamide
CID 26159299
N-(3-acetylphenyl)-2-(azepane-1-carbonyl)pyridine-4-carboxamide
CID 109090775
N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512
3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168534
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175
2-methoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168435

Frequently Asked Questions

What is the IUPAC name of formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 171339020) is formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is COc1cnc(-c2cccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c2)nc1.O=CO.
What is the InChIKey of formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is VESMFPXEEJMMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3.CH2O2/c1-30-20-14-24-21(25-15-20)16-6-4-7-17(12-16)22(28)26-19-9-5-8-18(13-19)23(29)27-10-2-3-11-27;2-1-3/h4-9,12-15H,2-3,10-11H2,1H3,(H,26,28);1H,(H,2,3).
What are the key properties of formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 448.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 171339020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).