N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

C20H21N5O3 — CID 17488605

IUPACN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H21N5O3/c26-19(11-17-15-3-1-2-4-16(15)20(27)24-23-17)22-13-14-5-6-18(21-12-14)25-7-9-28-10-8-25/h1-6,12H,7-11,13H2,(H,22,26)(H,24,27)
InChIKeyUQJWIRBNEVYNQC-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.01
Rot. Bonds5

About N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (PubChem CID 17488605) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
PubChem CID17488605
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C20H21N5O3/c26-19(11-17-15-3-1-2-4-16(15)20(27)24-23-17)22-13-14-5-6-18(21-12-14)25-7-9-28-10-8-25/h1-6,12H,7-11,13H2,(H,22,26)(H,24,27)
InChIKeyUQJWIRBNEVYNQC-UHFFFAOYSA-N
XLogP1.01
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide (CID 17488605) is N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
The InChIKey is UQJWIRBNEVYNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(11-17-15-3-1-2-4-16(15)20(27)24-23-17)22-13-14-5-6-18(21-12-14)25-7-9-28-10-8-25/h1-6,12H,7-11,13H2,(H,22,26)(H,24,27).
What are the key properties of N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide?
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide has a molecular weight of 379.42 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 17488605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).