N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide

C25H23N5O3 — CID 39248651

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N5O3/c31-24(27-17-18-7-6-12-26-23(18)29-13-15-33-16-14-29)22-20-10-4-5-11-21(20)25(32)30(28-22)19-8-2-1-3-9-19/h1-12H,13-17H2,(H,27,31)
InChIKeyXNXQFQGQEKAFDS-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.55
Rot. Bonds5

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide (PubChem CID 39248651) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
PubChem CID39248651
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
SMILESO=C(NCc1cccnc1N1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C25H23N5O3/c31-24(27-17-18-7-6-12-26-23(18)29-13-15-33-16-14-29)22-20-10-4-5-11-21(20)25(32)30(28-22)19-8-2-1-3-9-19/h1-12H,13-17H2,(H,27,31)
InChIKeyXNXQFQGQEKAFDS-UHFFFAOYSA-N
XLogP2.55
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methylphenyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 9104456
4-oxo-3-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]phthalazine-1-carboxamide
CID 46598657
2-(1H-indol-3-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 25479539
3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38543150
N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenylpiperazine-1-carboximidamide
CID 110960675
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenoxybutanamide
CID 37491143
4-oxo-3-phenyl-N-(2-pyridin-2-ylethyl)phthalazine-1-carboxamide
CID 46652657
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 44773550
1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 39249339
3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 55774654
cis-(1S,2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 97081544

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide (CID 39248651) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide is O=C(NCc1cccnc1N1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
The InChIKey is XNXQFQGQEKAFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c31-24(27-17-18-7-6-12-26-23(18)29-13-15-33-16-14-29)22-20-10-4-5-11-21(20)25(32)30(28-22)19-8-2-1-3-9-19/h1-12H,13-17H2,(H,27,31).
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide is sourced from PubChem (CID 39248651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).