N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

C22H24N4O4 — CID 36604681

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C22H24N4O4/c27-19(11-13-26-22(29)18-10-4-3-9-17(18)20(28)25-26)24-14-15-6-5-12-23-21(15)30-16-7-1-2-8-16/h3-6,9-10,12,16H,1-2,7-8,11,13-14H2,(H,24,27)(H,25,28)
InChIKeyYLAMRLYOOXTMPB-UHFFFAOYSA-N
MW408.46 g/mol
LogP2.11
Rot. Bonds7

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (PubChem CID 36604681) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
PubChem CID36604681
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
SMILESO=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1cccnc1OC1CCCC1
InChIInChI=1S/C22H24N4O4/c27-19(11-13-26-22(29)18-10-4-3-9-17(18)20(28)25-26)24-14-15-6-5-12-23-21(15)30-16-7-1-2-8-16/h3-6,9-10,12,16H,1-2,7-8,11,13-14H2,(H,24,27)(H,25,28)
InChIKeyYLAMRLYOOXTMPB-UHFFFAOYSA-N
XLogP2.11
TPSA106.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 37487509
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55780563
N-(cyclopentylmethyl)-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide
CID 39210877
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 55659910
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 55659908
4-(4-chlorophenyl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-4-oxobutanamide
CID 55679215
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 47029191
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2,4-dimethylphenyl)propanamide
CID 55659744
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]quinoline-5-carboxamide
CID 71896675
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94026468
3-(1,4-dioxo-3H-phthalazin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 32753667
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 36604713

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide (CID 36604681) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NCc1cccnc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
The InChIKey is YLAMRLYOOXTMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-19(11-13-26-22(29)18-10-4-3-9-17(18)20(28)25-26)24-14-15-6-5-12-23-21(15)30-16-7-1-2-8-16/h3-6,9-10,12,16H,1-2,7-8,11,13-14H2,(H,24,27)(H,25,28).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide has a molecular weight of 408.46 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(1,4-dioxo-3H-phthalazin-2-yl)propanamide is sourced from PubChem (CID 36604681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).