4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide

C25H23N5O2 — CID 46598657

IUPAC4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N5O2/c31-24(27-17-18-12-13-22(26-16-18)29-14-6-7-15-29)23-20-10-4-5-11-21(20)25(32)30(28-23)19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17H2,(H,27,31)
InChIKeyNIMJMPAEMOOYQL-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.31
Rot. Bonds5

About 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide

4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide (PubChem CID 46598657) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide
PubChem CID46598657
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N5O2/c31-24(27-17-18-12-13-22(26-16-18)29-14-6-7-15-29)23-20-10-4-5-11-21(20)25(32)30(28-23)19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17H2,(H,27,31)
InChIKeyNIMJMPAEMOOYQL-UHFFFAOYSA-N
XLogP3.31
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-phenyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 55745317
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39248651
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55749931
2-amino-2-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 119399543
N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9241793
N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
N-[2-(4-chlorophenyl)ethyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 2086576
4-phenoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 38527586
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47043334
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzamide
CID 53149086
3-bromo-1-methyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]indole-2-carboxamide
CID 55665645

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide (CID 46598657) is 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide is O=C(NCc1ccc(N2CCCC2)nc1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide?
The InChIKey is NIMJMPAEMOOYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c31-24(27-17-18-12-13-22(26-16-18)29-14-6-7-15-29)23-20-10-4-5-11-21(20)25(32)30(28-23)19-8-2-1-3-9-19/h1-5,8-13,16H,6-7,14-15,17H2,(H,27,31).
What are the key properties of 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide?
4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide is sourced from PubChem (CID 46598657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).