2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

C16H19ClN4O2 — CID 75451729

IUPAC2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)Nc2nnc3n2CCCC3)c1
InChIInChI=1S/C16H19ClN4O2/c1-10-6-7-12(17)13(9-10)23-11(2)15(22)18-16-20-19-14-5-3-4-8-21(14)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,20,22)
InChIKeyDQVNREUNYBEKJO-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide

2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (PubChem CID 75451729) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
PubChem CID75451729
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)Nc2nnc3n2CCCC3)c1
InChIInChI=1S/C16H19ClN4O2/c1-10-6-7-12(17)13(9-10)23-11(2)15(22)18-16-20-19-14-5-3-4-8-21(14)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,20,22)
InChIKeyDQVNREUNYBEKJO-UHFFFAOYSA-N
XLogP2.98
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[4-fluoro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 46530070
N-[2-chloro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-methoxypropanamide
CID 126799323
2-(2-chloro-5-methylphenoxy)-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 47248031
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(2-chlorophenoxy)-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propanamide
CID 55576052
2-(2-chloro-5-methylphenoxy)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78889534
2-(4-bromophenoxy)-N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 46550115
(2S)-2-(3-methylphenoxy)-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]propanamide
CID 7941662
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111470995

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide (CID 75451729) is 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is Cc1ccc(Cl)c(OC(C)C(=O)Nc2nnc3n2CCCC3)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
The InChIKey is DQVNREUNYBEKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-10-6-7-12(17)13(9-10)23-11(2)15(22)18-16-20-19-14-5-3-4-8-21(14)16/h6-7,9,11H,3-5,8H2,1-2H3,(H,18,20,22).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide?
2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide has a molecular weight of 334.81 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 75451729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).