N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide

C17H18ClN5O — CID 154843536

IUPACN-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)NCc1nnc2ccc(Cl)cn12)c1cccnc1
InChIInChI=1S/C17H18ClN5O/c1-11(2)16(12-4-3-7-19-8-12)17(24)20-9-15-22-21-14-6-5-13(18)10-23(14)15/h3-8,10-11,16H,9H2,1-2H3,(H,20,24)
InChIKeyLNBBSZKPSBMEHD-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.83
Rot. Bonds5

About N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide

N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide (PubChem CID 154843536) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide.

Molecular Properties

Compound NameN-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide
PubChem CID154843536
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC NameN-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide
SMILESCC(C)C(C(=O)NCc1nnc2ccc(Cl)cn12)c1cccnc1
InChIInChI=1S/C17H18ClN5O/c1-11(2)16(12-4-3-7-19-8-12)17(24)20-9-15-22-21-14-6-5-13(18)10-23(14)15/h3-8,10-11,16H,9H2,1-2H3,(H,20,24)
InChIKeyLNBBSZKPSBMEHD-UHFFFAOYSA-N
XLogP2.83
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide?
The IUPAC name of N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide (CID 154843536) is N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide.
What is the SMILES notation for N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide?
The canonical SMILES for N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide is CC(C)C(C(=O)NCc1nnc2ccc(Cl)cn12)c1cccnc1.
What is the InChIKey of N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide?
The InChIKey is LNBBSZKPSBMEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c1-11(2)16(12-4-3-7-19-8-12)17(24)20-9-15-22-21-14-6-5-13(18)10-23(14)15/h3-8,10-11,16H,9H2,1-2H3,(H,20,24).
What are the key properties of N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide?
N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide has a molecular weight of 343.82 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-methyl-2-pyridin-3-ylbutanamide is sourced from PubChem (CID 154843536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).