(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide

C19H26N4O — CID 124567982

IUPAC(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCCn3ncnc32)cc1
InChIInChI=1S/C19H26N4O/c1-13(2)11-15-6-8-16(9-7-15)14(3)19(24)22-17-5-4-10-23-18(17)20-12-21-23/h6-9,12-14,17H,4-5,10-11H2,1-3H3,(H,22,24)/t14-,17+/m0/s1
InChIKeyGQQARUJHAHOAQD-WMLDXEAASA-N
MW326.44 g/mol
LogP3.23
Rot. Bonds5

About (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide

(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide (PubChem CID 124567982) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide
PubChem CID124567982
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide
SMILESCC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCCn3ncnc32)cc1
InChIInChI=1S/C19H26N4O/c1-13(2)11-15-6-8-16(9-7-15)14(3)19(24)22-17-5-4-10-23-18(17)20-12-21-23/h6-9,12-14,17H,4-5,10-11H2,1-3H3,(H,22,24)/t14-,17+/m0/s1
InChIKeyGQQARUJHAHOAQD-WMLDXEAASA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide with MolForge

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Related Compounds

N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 115876715
2-[4-(2-methylpropyl)phenyl]-N-(pyrrolidin-1-ylmethyl)propanamide
CID 10062669
2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 71064255
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 25019144
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
N-butan-2-yl-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11841279
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 157140532
(8S)-N-[(2S)-2-(3-chlorophenyl)propyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 99824859
N-hex-5-en-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 104582927
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 99840303

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide?
The IUPAC name of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide (CID 124567982) is (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide.
What is the SMILES notation for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide?
The canonical SMILES for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide is CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCCn3ncnc32)cc1.
What is the InChIKey of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide?
The InChIKey is GQQARUJHAHOAQD-WMLDXEAASA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)11-15-6-8-16(9-7-15)14(3)19(24)22-17-5-4-10-23-18(17)20-12-21-23/h6-9,12-14,17H,4-5,10-11H2,1-3H3,(H,22,24)/t14-,17+/m0/s1.
What are the key properties of (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide?
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide is sourced from PubChem (CID 124567982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).