N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide

C26H24FN5O3 — CID 57405078

IUPACN-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide
SMILESCCN(CCNC(=O)c1cccnc1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C26H24FN5O3/c1-2-32(13-12-29-24(33)18-6-5-11-28-16-18)26(35)21-14-17(9-10-22(21)27)15-23-19-7-3-4-8-20(19)25(34)31-30-23/h3-11,14,16H,2,12-13,15H2,1H3,(H,29,33)(H,31,34)
InChIKeyHKPJDCFUMNUJHZ-UHFFFAOYSA-N
MW473.51 g/mol
LogP2.94
Rot. Bonds8

About N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide

N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide (PubChem CID 57405078) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide
PubChem CID57405078
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC NameN-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide
SMILESCCN(CCNC(=O)c1cccnc1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C26H24FN5O3/c1-2-32(13-12-29-24(33)18-6-5-11-28-16-18)26(35)21-14-17(9-10-22(21)27)15-23-19-7-3-4-8-20(19)25(34)31-30-23/h3-11,14,16H,2,12-13,15H2,1H3,(H,29,33)(H,31,34)
InChIKeyHKPJDCFUMNUJHZ-UHFFFAOYSA-N
XLogP2.94
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]-N,N-dipropylbenzamide
CID 134297763
4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(2-piperidin-1-ylethyl)benzamide
CID 166090180
2-fluoro-N-[2-(oxan-4-yl)ethyl]-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 166090263
2-fluoro-N-(3-methoxycyclobutyl)-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 153339035
6-amino-N-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pentyl]pyridine-3-carboxamide
CID 162515622
methyl 2-fluoro-5-[(5-oxo-6H-pyrido[2,3-d]pyridazin-8-yl)methyl]benzoate
CID 69044484
4-[[4-fluoro-3-(piperidine-4-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 163757075
N-[5-[4-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]piperazin-1-yl]pentyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 162515621
4-[[4-fluoro-3-[4-(3-methylbenzoyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 130438659
4-[[4-fluoro-3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]phenyl]methyl]-2H-phthalazin-1-one
CID 130438657
4-[[3-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 76684088

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide (CID 57405078) is N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide is CCN(CCNC(=O)c1cccnc1)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.
What is the InChIKey of N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide?
The InChIKey is HKPJDCFUMNUJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-2-32(13-12-29-24(33)18-6-5-11-28-16-18)26(35)21-14-17(9-10-22(21)27)15-23-19-7-3-4-8-20(19)25(34)31-30-23/h3-11,14,16H,2,12-13,15H2,1H3,(H,29,33)(H,31,34).
What are the key properties of N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide?
N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide has a molecular weight of 473.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzoyl]amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 57405078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).