4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide

C15H26N4O — CID 97316005

IUPAC4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
SMILESCC(C)CCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1
InChIInChI=1S/C15H26N4O/c1-10(2)5-8-14(20)16-12-6-7-13-17-18-15(11(3)4)19(13)9-12/h10-12H,5-9H2,1-4H3,(H,16,20)/t12-/m1/s1
InChIKeyDEWMWUOKIQYMJE-GFCCVEGCSA-N
MW278.40 g/mol
LogP2.27
Rot. Bonds5

About 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide

4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide (PubChem CID 97316005) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
PubChem CID97316005
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
SMILESCC(C)CCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1
InChIInChI=1S/C15H26N4O/c1-10(2)5-8-14(20)16-12-6-7-13-17-18-15(11(3)4)19(13)9-12/h10-12H,5-9H2,1-4H3,(H,16,20)/t12-/m1/s1
InChIKeyDEWMWUOKIQYMJE-GFCCVEGCSA-N
XLogP2.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide with MolForge

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propanamide
CID 95144835
1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
CID 75473933
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95342704
2-(2-methyl-1,3-thiazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95137616
3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 75480219
1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
CID 75468562
3-hydroxy-N-[2-oxo-2-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)amino]ethyl]pyridine-2-carboxamide
CID 75470231
1-(2-hydroxyethyl)-2-methyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119152581
5-phenyl-4-[(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoylamino]pentanoic acid
CID 122009464
9-amino-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988323
1-[2-(dimethylamino)pyrimidin-5-yl]-3-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea
CID 97344451
3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide
CID 97344909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide?
The IUPAC name of 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide (CID 97316005) is 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide?
The canonical SMILES for 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide is CC(C)CCC(=O)N[C@@H]1CCc2nnc(C(C)C)n2C1.
What is the InChIKey of 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide?
The InChIKey is DEWMWUOKIQYMJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)5-8-14(20)16-12-6-7-13-17-18-15(11(3)4)19(13)9-12/h10-12H,5-9H2,1-4H3,(H,16,20)/t12-/m1/s1.
What are the key properties of 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide?
4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide has a molecular weight of 278.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide is sourced from PubChem (CID 97316005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).