(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

C16H17N5O2 — CID 126430973

IUPAC(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1nccn1C)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H17N5O2/c1-10(15(22)18-9-13-17-7-8-21(13)2)14-11-5-3-4-6-12(11)16(23)20-19-14/h3-8,10H,9H2,1-2H3,(H,18,22)(H,20,23)/t10-/m0/s1
InChIKeyWXBRTTPFYORPPE-JTQLQIEISA-N
MW311.35 g/mol
LogP1.08
Rot. Bonds4

About (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (PubChem CID 126430973) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
PubChem CID126430973
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESC[C@H](C(=O)NCc1nccn1C)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H17N5O2/c1-10(15(22)18-9-13-17-7-8-21(13)2)14-11-5-3-4-6-12(11)16(23)20-19-14/h3-8,10H,9H2,1-2H3,(H,18,22)(H,20,23)/t10-/m0/s1
InChIKeyWXBRTTPFYORPPE-JTQLQIEISA-N
XLogP1.08
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99947725
2-methoxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 115610745
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
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N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
3-amino-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 63293672
(2R)-2-amino-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79013544
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
N-[(1-methylimidazol-2-yl)methyl]-2-piperazin-1-ylpropanamide
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(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99933785
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63293605

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The IUPAC name of (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (CID 126430973) is (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The canonical SMILES for (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is C[C@H](C(=O)NCc1nccn1C)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The InChIKey is WXBRTTPFYORPPE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(15(22)18-9-13-17-7-8-21(13)2)14-11-5-3-4-6-12(11)16(23)20-19-14/h3-8,10H,9H2,1-2H3,(H,18,22)(H,20,23)/t10-/m0/s1.
What are the key properties of (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide has a molecular weight of 311.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is sourced from PubChem (CID 126430973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).