(2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide

C20H17ClN4O2 — CID 92668715

IUPAC(2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccc(Cl)c1)n1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C20H17ClN4O2/c1-12(19(26)22-10-13-5-4-6-14(21)9-13)25-17-8-3-2-7-15(17)16-11-23-24-20(27)18(16)25/h2-9,11-12H,10H2,1H3,(H,22,26)(H,24,27)/t12-/m1/s1
InChIKeyYGTDGMWSRLYXRH-GFCCVEGCSA-N
MW380.84 g/mol
LogP3.41
Rot. Bonds4

About (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide

(2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide (PubChem CID 92668715) has the molecular formula C20H17ClN4O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide
PubChem CID92668715
Molecular FormulaC20H17ClN4O2
Molecular Weight380.84 g/mol
Exact Mass380.10
IUPAC Name(2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide
SMILESC[C@H](C(=O)NCc1cccc(Cl)c1)n1c2ccccc2c2cn[nH]c(=O)c21
InChIInChI=1S/C20H17ClN4O2/c1-12(19(26)22-10-13-5-4-6-14(21)9-13)25-17-8-3-2-7-15(17)16-11-23-24-20(27)18(16)25/h2-9,11-12H,10H2,1H3,(H,22,26)(H,24,27)/t12-/m1/s1
InChIKeyYGTDGMWSRLYXRH-GFCCVEGCSA-N
XLogP3.41
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-butyl-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide
CID 92668774
(2S)-N-[(3-bromophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95064642
(2R)-N-[(3-chlorophenyl)methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 2457939
N-[(3-methoxyphenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)acetamide
CID 53207406
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95116877
N-[(3-chlorophenyl)methyl]-3,3-dimethyl-2-propan-2-ylbutanamide
CID 58124287
(2R)-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 95064644
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
N-[(2-fluorophenyl)methyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 53055058
N-[(3-chlorophenyl)methyl]-2,3,3-trimethylbutanamide
CID 70795299
4-chloro-N-[(3-chlorophenyl)methyl]-1H-indazole-6-carboxamide
CID 59292119
(2S)-N-[2-(3-methoxyphenyl)ethyl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanamide
CID 95059123

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide?
The IUPAC name of (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide (CID 92668715) is (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide.
What is the SMILES notation for (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide?
The canonical SMILES for (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide is C[C@H](C(=O)NCc1cccc(Cl)c1)n1c2ccccc2c2cn[nH]c(=O)c21.
What is the InChIKey of (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide?
The InChIKey is YGTDGMWSRLYXRH-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H17ClN4O2/c1-12(19(26)22-10-13-5-4-6-14(21)9-13)25-17-8-3-2-7-15(17)16-11-23-24-20(27)18(16)25/h2-9,11-12H,10H2,1H3,(H,22,26)(H,24,27)/t12-/m1/s1.
What are the key properties of (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide?
(2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide has a molecular weight of 380.84 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)propanamide is sourced from PubChem (CID 92668715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).