(3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide

C18H25N5O2 — CID 97102461

IUPAC(3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide
SMILESCOc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCn2nc(C)nc21
InChIInChI=1S/C18H25N5O2/c1-12(11-17(24)21-14-7-4-5-9-16(14)25-3)19-15-8-6-10-23-18(15)20-13(2)22-23/h4-5,7,9,12,15,19H,6,8,10-11H2,1-3H3,(H,21,24)/t12-,15+/m0/s1
InChIKeyYNGHAXOFYFTOTB-SWLSCSKDSA-N
MW343.43 g/mol
LogP2.44
Rot. Bonds6

About (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide

(3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide (PubChem CID 97102461) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide
PubChem CID97102461
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide
SMILESCOc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCn2nc(C)nc21
InChIInChI=1S/C18H25N5O2/c1-12(11-17(24)21-14-7-4-5-9-16(14)25-3)19-15-8-6-10-23-18(15)20-13(2)22-23/h4-5,7,9,12,15,19H,6,8,10-11H2,1-3H3,(H,21,24)/t12-,15+/m0/s1
InChIKeyYNGHAXOFYFTOTB-SWLSCSKDSA-N
XLogP2.44
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide 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

1-[2-(3,5-difluorophenoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 126772268
(3S)-N-(2-methoxyphenyl)-3-[[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]butanamide
CID 129446078
N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide
CID 75497138
N-(2-methoxyphenyl)-2-[(6S)-2-methyl-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 136875248
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381
2-[(4-hydroxycyclohexyl)methylamino]-N-(2-methoxyphenyl)acetamide
CID 106133704
3-(4-benzylpiperidin-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide
CID 108952152
N-(2-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 9322485
[(2S)-4-(2-methoxyanilino)-4-oxobutan-2-yl]-methylazanium
CID 9396224
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide?
The IUPAC name of (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide (CID 97102461) is (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide.
What is the SMILES notation for (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide?
The canonical SMILES for (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide is COc1ccccc1NC(=O)C[C@H](C)N[C@@H]1CCCn2nc(C)nc21.
What is the InChIKey of (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide?
The InChIKey is YNGHAXOFYFTOTB-SWLSCSKDSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(11-17(24)21-14-7-4-5-9-16(14)25-3)19-15-8-6-10-23-18(15)20-13(2)22-23/h4-5,7,9,12,15,19H,6,8,10-11H2,1-3H3,(H,21,24)/t12-,15+/m0/s1.
What are the key properties of (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide?
(3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide has a molecular weight of 343.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide is sourced from PubChem (CID 97102461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).