3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide

C14H17ClN4O — CID 106917464

IUPAC3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H17ClN4O/c1-9(14(20)16-2)8-19(3)13-11-7-5-4-6-10(11)12(15)17-18-13/h4-7,9H,8H2,1-3H3,(H,16,20)
InChIKeyOKRAWKDENUJEKX-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.10
Rot. Bonds4

About 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide

3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide (PubChem CID 106917464) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide
PubChem CID106917464
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)CN(C)c1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H17ClN4O/c1-9(14(20)16-2)8-19(3)13-11-7-5-4-6-10(11)12(15)17-18-13/h4-7,9H,8H2,1-3H3,(H,16,20)
InChIKeyOKRAWKDENUJEKX-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-5,6-dimethylpyrazin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917523
3-[[3-(aminomethyl)-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 106914478
3-[[3-[(1S)-1-hydroxyethyl]-2-pyridinyl]-methylamino]-N,2-dimethylpropanamide
CID 114056297
3-[(6-chloro-3-nitro-2-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 106917521
3-(2-amino-N-methylanilino)-N,2-dimethylpropanamide
CID 106914261
N-butyl-4-chloro-N-methylphthalazin-1-amine
CID 62140980
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
3-[[3-(aminomethyl)quinolin-4-yl]-methylamino]-N,2-dimethylpropanamide
CID 106914487
3-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)-methylamino]-N,2-dimethylpropanamide
CID 106917517
4-chloro-N-ethyl-N-(2-methylbutyl)phthalazin-1-amine
CID 79470782
2-chloro-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 103722285
3-[3-chloro-N-methyl-2-(methylaminomethyl)anilino]-N,2-dimethylpropanamide
CID 106916853

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide (CID 106917464) is 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide is CNC(=O)C(C)CN(C)c1nnc(Cl)c2ccccc12.
What is the InChIKey of 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide?
The InChIKey is OKRAWKDENUJEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-9(14(20)16-2)8-19(3)13-11-7-5-4-6-10(11)12(15)17-18-13/h4-7,9H,8H2,1-3H3,(H,16,20).
What are the key properties of 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide?
3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide has a molecular weight of 292.77 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophthalazin-1-yl)-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106917464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).