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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Related Compounds

Gsk591
CID 117072552
2-[4-[3-[(4-Oxidanylidene-3~{h}-Phthalazin-1-Yl)methyl]phenyl]carbonylpiperazin-1-Yl]pyridine-3-Carbonitrile
CID 92045137
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
4-[(3-{[4-(Pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132613
4-[(4-Fluoro-3-{[4-(pyridin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132952
4-[(3-{[4-(Pyrimidin-2-yl)piperazin-1-yl]carbonyl}phenyl)methyl]-1,2-dihydrophthalazin-1-one
CID 25132953
N-{4'-[(Cyclopropylmethyl)carbamoyl]-6-Methylbiphenyl-3-Yl}-2-Morpholin-4-Ylpyridine-4-Carboxamide
CID 24856364
8-[[4-fluoro-3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-5-one
CID 25117637
2-Propyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one
CID 3593803
2-[2-Oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one
CID 5308979
4-[[3,4-difluoro-5-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 145949586
2-[4-[2,3-difluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 145951891

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).