(2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide

C20H23N5O2 — CID 164633431

IUPAC(2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide
SMILESCCn1ncc2ccc(NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)cc21
InChIInChI=1S/C20H23N5O2/c1-3-25-18-11-17(10-9-16(18)13-22-25)24-20(27)23-14(2)19(26)21-12-15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H,21,26)(H2,23,24,27)/t14-/m0/s1
InChIKeyKGHAPJODCGTITQ-AWEZNQCLSA-N
MW365.44 g/mol
LogP2.88
Rot. Bonds6

About (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide

(2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide (PubChem CID 164633431) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide
PubChem CID164633431
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide
SMILESCCn1ncc2ccc(NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)cc21
InChIInChI=1S/C20H23N5O2/c1-3-25-18-11-17(10-9-16(18)13-22-25)24-20(27)23-14(2)19(26)21-12-15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H,21,26)(H2,23,24,27)/t14-/m0/s1
InChIKeyKGHAPJODCGTITQ-AWEZNQCLSA-N
XLogP2.88
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

App-butinaca
CID 154735174
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
1-[(4-fluorophenyl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 22337693
2-[6-[[2-[5-Cyclohexyl-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]indazol-1-yl]acetic acid
CID 16732444
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H-indazol-4-ylurea
CID 16749466
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210
3-1H-indazol-4-yl-1-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 24768211
N-(4-chlorobenzyl)-N'-(1-methyl-1H-indazol-4-yl)urea
CID 22337589
1-[[3-Tert-butyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162655621
1-[[3-Tert-butyl-1-(3,4-difluorophenyl)pyrazol-5-yl]methyl]-3-(1-methylindazol-4-yl)urea
CID 162671174
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide (CID 164633431) is (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide is CCn1ncc2ccc(NC(=O)N[C@@H](C)C(=O)NCc3ccccc3)cc21.
What is the InChIKey of (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide?
The InChIKey is KGHAPJODCGTITQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-25-18-11-17(10-9-16(18)13-22-25)24-20(27)23-14(2)19(26)21-12-15-7-5-4-6-8-15/h4-11,13-14H,3,12H2,1-2H3,(H,21,26)(H2,23,24,27)/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide?
(2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide has a molecular weight of 365.44 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(1-ethylindazol-6-yl)carbamoylamino]propanamide is sourced from PubChem (CID 164633431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).