(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

C20H23N5O2 — CID 99928932

IUPAC(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCc1ccc(NCCCNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc23)nc1
InChIInChI=1S/C20H23N5O2/c1-13-8-9-17(23-12-13)21-10-5-11-22-19(26)14(2)18-15-6-3-4-7-16(15)20(27)25-24-18/h3-4,6-9,12,14H,5,10-11H2,1-2H3,(H,21,23)(H,22,26)(H,25,27)/t14-/m1/s1
InChIKeyRLXFUNSDYNXITH-CQSZACIVSA-N
MW365.44 g/mol
LogP2.35
Rot. Bonds7

About (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide

(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (PubChem CID 99928932) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
PubChem CID99928932
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
SMILESCc1ccc(NCCCNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc23)nc1
InChIInChI=1S/C20H23N5O2/c1-13-8-9-17(23-12-13)21-10-5-11-22-19(26)14(2)18-15-6-3-4-7-16(15)20(27)25-24-18/h3-4,6-9,12,14H,5,10-11H2,1-2H3,(H,21,23)(H,22,26)(H,25,27)/t14-/m1/s1
InChIKeyRLXFUNSDYNXITH-CQSZACIVSA-N
XLogP2.35
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99933785
(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
CID 97071138
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide
CID 119888012
(2S)-N-[(1-methylimidazol-2-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 126430973
N-(5-methyl-2-pyridinyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 18106765
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 131907820
N-(5-methyl-2-pyridinyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 18106776
N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 77085866
2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 119888065
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
2,2-dichloro-1-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]cyclopropane-1-carboxamide
CID 20818805
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The IUPAC name of (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide (CID 99928932) is (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is Cc1ccc(NCCCNC(=O)[C@H](C)c2n[nH]c(=O)c3ccccc23)nc1.
What is the InChIKey of (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
The InChIKey is RLXFUNSDYNXITH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-8-9-17(23-12-13)21-10-5-11-22-19(26)14(2)18-15-6-3-4-7-16(15)20(27)25-24-18/h3-4,6-9,12,14H,5,10-11H2,1-2H3,(H,21,23)(H,22,26)(H,25,27)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide?
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide has a molecular weight of 365.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide is sourced from PubChem (CID 99928932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).