N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide

C22H24N4O3 — CID 55659910

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCc2cccnc2OC2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-2-26-22(28)18-12-6-5-11-17(18)19(25-26)20(27)24-14-15-8-7-13-23-21(15)29-16-9-3-4-10-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3,(H,24,27)
InChIKeySQAQRWUGXJTCJB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.06
Rot. Bonds6

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 55659910) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID55659910
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCc2cccnc2OC2CCCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-2-26-22(28)18-12-6-5-11-17(18)19(25-26)20(27)24-14-15-8-7-13-23-21(15)29-16-9-3-4-10-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3,(H,24,27)
InChIKeySQAQRWUGXJTCJB-UHFFFAOYSA-N
XLogP3.06
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
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CID 841534
6-{4-[3-((R)-2-Methyl-pyrrolidin-1-yl)-propoxy]-phenyl}-4-pyridin-2-yl-2H-pyridazin-3-one
CID 24994744
10-(6-ethoxy-3-pyridinyl)-6,7,8,10-tetrahydro-5H-indeno[1,2-b]quinoline-9,11-dione
CID 155088340
4-propoxy-N-(3-pyridinylmethyl)benzamide
CID 648339
2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 2450814
N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 5308577
N-[(4-methoxyphenyl)methyl]-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 9550950
N-(4-ethoxyphenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2(1H)-yl]acetamide
CID 16010110
Chem-US-00188
CID 118928620
N-[(2-isopropoxyphenyl)methyl]-7,8-dihydroisoquinoline-6-carboxamide
CID 492596
N-(4-ethoxyphenyl)-2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]acetamide
CID 16010153

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide (CID 55659910) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)NCc2cccnc2OC2CCCC2)c2ccccc2c1=O.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is SQAQRWUGXJTCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-26-22(28)18-12-6-5-11-17(18)19(25-26)20(27)24-14-15-8-7-13-23-21(15)29-16-9-3-4-10-16/h5-8,11-13,16H,2-4,9-10,14H2,1H3,(H,24,27).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55659910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).