4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide

C19H20N4O2 — CID 91774680

IUPAC4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide
SMILESCCCCC(NC(=O)c1n[nH]c(=O)c2ccccc12)c1cccnc1
InChIInChI=1S/C19H20N4O2/c1-2-3-10-16(13-7-6-11-20-12-13)21-19(25)17-14-8-4-5-9-15(14)18(24)23-22-17/h4-9,11-12,16H,2-3,10H2,1H3,(H,21,25)(H,23,24)
InChIKeyJKSMQLWAANTDIQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.98
Rot. Bonds6

About 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide

4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide (PubChem CID 91774680) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide
PubChem CID91774680
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide
SMILESCCCCC(NC(=O)c1n[nH]c(=O)c2ccccc12)c1cccnc1
InChIInChI=1S/C19H20N4O2/c1-2-3-10-16(13-7-6-11-20-12-13)21-19(25)17-14-8-4-5-9-15(14)18(24)23-22-17/h4-9,11-12,16H,2-3,10H2,1H3,(H,21,25)(H,23,24)
InChIKeyJKSMQLWAANTDIQ-UHFFFAOYSA-N
XLogP2.98
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexan-2-yl-4-oxo-3H-phthalazine-1-carboxamide
CID 62201020
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 29479645
(2S)-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoic acid
CID 107564057
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 122570848
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-[(1S)-2-methyl-1-phenylpropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 31355541
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
methyl (2R,3R)-3-methyl-2-[(4-oxo-3H-phthalazine-1-carbonyl)amino]pentanoate
CID 9269609
4-oxo-N-[(2R)-2-phenylbutyl]-3H-phthalazine-1-carboxamide
CID 9406737
4-(2-pyridin-3-ylpropyl)-2H-phthalazin-1-one
CID 22386478
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide (CID 91774680) is 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide is CCCCC(NC(=O)c1n[nH]c(=O)c2ccccc12)c1cccnc1.
What is the InChIKey of 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide?
The InChIKey is JKSMQLWAANTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-3-10-16(13-7-6-11-20-12-13)21-19(25)17-14-8-4-5-9-15(14)18(24)23-22-17/h4-9,11-12,16H,2-3,10H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide?
4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 91774680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).