4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide

C20H19N5O2 — CID 20892895

IUPAC4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCc1cccnc1
InChIInChI=1S/C20H19N5O2/c26-18(22-12-14-5-3-9-21-11-14)8-4-10-25-17-7-2-1-6-15(17)16-13-23-24-20(27)19(16)25/h1-3,5-7,9,11,13H,4,8,10,12H2,(H,22,26)(H,24,27)
InChIKeyOBPYRLSZNVBTLS-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.37
Rot. Bonds6

About 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide

4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 20892895) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID20892895
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESO=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCc1cccnc1
InChIInChI=1S/C20H19N5O2/c26-18(22-12-14-5-3-9-21-11-14)8-4-10-25-17-7-2-1-6-15(17)16-13-23-24-20(27)19(16)25/h1-3,5-7,9,11,13H,4,8,10,12H2,(H,22,26)(H,24,27)
InChIKeyOBPYRLSZNVBTLS-UHFFFAOYSA-N
XLogP2.37
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892915
4-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 53022880
4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 20892920
N-[(2-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892914
N-[3-(4-methylpiperazin-1-yl)propyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892927
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
N-[(3-methoxyphenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207406
3-(2,3-dioxo-4-prop-2-enylquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 50815635
N-(3-methoxypropyl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207412
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
3-piperazin-1-yl-N-(pyridin-3-ylmethyl)propanamide
CID 28807813
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207408

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 20892895) is 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide is O=C(CCCn1c2ccccc2c2cn[nH]c(=O)c21)NCc1cccnc1.
What is the InChIKey of 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is OBPYRLSZNVBTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-18(22-12-14-5-3-9-21-11-14)8-4-10-25-17-7-2-1-6-15(17)16-13-23-24-20(27)19(16)25/h1-3,5-7,9,11,13H,4,8,10,12H2,(H,22,26)(H,24,27).
What are the key properties of 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide?
4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 361.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 20892895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).