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

C18H17ClN4O2 — CID 56702460

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)nc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17ClN4O2/c1-11(16-13-5-3-4-6-14(13)17(24)22-21-16)18(25)23(2)10-12-7-8-15(19)20-9-12/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyUWIXMPHOAYCQEU-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.73
Rot. Bonds4

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

N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide (PubChem CID 56702460) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide
PubChem CID56702460
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCC(C(=O)N(C)Cc1ccc(Cl)nc1)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H17ClN4O2/c1-11(16-13-5-3-4-6-14(13)17(24)22-21-16)18(25)23(2)10-12-7-8-15(19)20-9-12/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyUWIXMPHOAYCQEU-UHFFFAOYSA-N
XLogP2.73
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.73
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

tert-butyl N-[1-[(6-chloro-3-pyridinyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 78851204
N-[(6-chloro-3-pyridinyl)methyl]-N-methylprop-1-en-2-amine
CID 89003402
(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 126430973
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
4-[1-(4-ethylsulfonylpiperazin-1-yl)-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 131950335
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99928932
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 131907820
1-(6-chloro-3-pyridinyl)-N,N-dimethylmethanamine
CID 12056677
N-[(3,4-dichlorophenyl)methyl]-4-oxo-N-propan-2-yl-3H-phthalazine-1-carboxamide
CID 52671402
N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102
ethyl 4-(4-oxo-3H-phthalazin-1-yl)pentanoate
CID 168994585

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide (CID 56702460) is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide is CC(C(=O)N(C)Cc1ccc(Cl)nc1)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The InChIKey is UWIXMPHOAYCQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11(16-13-5-3-4-6-14(13)17(24)22-21-16)18(25)23(2)10-12-7-8-15(19)20-9-12/h3-9,11H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide has a molecular weight of 356.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2-(4-oxo-3H-phthalazin-1-yl)propanamide is sourced from PubChem (CID 56702460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).