4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide

C17H16Cl2N4O2 — CID 102510749

IUPAC4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide
SMILESCNC(=O)N1Cc2cc(OC)ccc2C(Cc2cc(Cl)nc(Cl)c2)=N1
InChIInChI=1S/C17H16Cl2N4O2/c1-20-17(24)23-9-11-8-12(25-2)3-4-13(11)14(22-23)5-10-6-15(18)21-16(19)7-10/h3-4,6-8H,5,9H2,1-2H3,(H,20,24)
InChIKeyDODKQYRIZKNILE-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.50
Rot. Bonds3

About 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide

4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide (PubChem CID 102510749) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide
PubChem CID102510749
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC Name4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide
SMILESCNC(=O)N1Cc2cc(OC)ccc2C(Cc2cc(Cl)nc(Cl)c2)=N1
InChIInChI=1S/C17H16Cl2N4O2/c1-20-17(24)23-9-11-8-12(25-2)3-4-13(11)14(22-23)5-10-6-15(18)21-16(19)7-10/h3-4,6-8H,5,9H2,1-2H3,(H,20,24)
InChIKeyDODKQYRIZKNILE-UHFFFAOYSA-N
XLogP3.50
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(3,5-dichloro-4-pyridinyl)methyl]-7-methoxy-1H-phthalazin-2-yl]-2-morpholin-4-ylethanone
CID 18381657
1-(4-chlorophenyl)-8-methoxy-N,4-dimethyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 118237470
N-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 88570952
6,7-dimethoxy-2-methylsulfonyl-4-(pyridin-4-ylmethyl)-1H-phthalazine
CID 18374632
1-[4-[[2-(2-chloroethoxy)acetyl]amino]phenyl]-8-methoxy-N-methyl-4,5-dihydro-2,3-benzodiazepine-3-carboxamide
CID 126706408
2,6-dichloro-N-[4-(4-methoxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 139899503
2-[(4-methoxyphenyl)methyl]-5-(3-methylbutanoyl)-3H-isoindol-1-one
CID 58243705
benzyl 8-methoxy-5-oxo-3,4-dihydro-1H-2-benzazepine-2-carboxylate
CID 171988343
dimethyl 6-methoxy-1-oxo-4H-isochromene-3,3-dicarboxylate
CID 2752718
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 55079735
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
methyl 3-chlorosulfonyl-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 167348254

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide?
The IUPAC name of 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide (CID 102510749) is 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide.
What is the SMILES notation for 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide?
The canonical SMILES for 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide is CNC(=O)N1Cc2cc(OC)ccc2C(Cc2cc(Cl)nc(Cl)c2)=N1.
What is the InChIKey of 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide?
The InChIKey is DODKQYRIZKNILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c1-20-17(24)23-9-11-8-12(25-2)3-4-13(11)14(22-23)5-10-6-15(18)21-16(19)7-10/h3-4,6-8H,5,9H2,1-2H3,(H,20,24).
What are the key properties of 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide?
4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide has a molecular weight of 379.25 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-4-pyridinyl)methyl]-7-methoxy-N-methyl-1H-phthalazine-2-carboxamide is sourced from PubChem (CID 102510749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).