N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

C18H19N5O2 — CID 121389330

IUPACN-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3ccc4nnn(C)c4c3)cncc21
InChIInChI=1S/C18H19N5O2/c1-3-18(24)20-16-10-25-9-14-12(7-19-8-13(14)16)11-4-5-15-17(6-11)23(2)22-21-15/h4-8,16H,3,9-10H2,1-2H3,(H,20,24)
InChIKeyOZQPHDJKPFMIIZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.13
Rot. Bonds3

About N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (PubChem CID 121389330) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

Compound NameN-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
PubChem CID121389330
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3ccc4nnn(C)c4c3)cncc21
InChIInChI=1S/C18H19N5O2/c1-3-18(24)20-16-10-25-9-14-12(7-19-8-13(14)16)11-4-5-15-17(6-11)23(2)22-21-15/h4-8,16H,3,9-10H2,1-2H3,(H,20,24)
InChIKeyOZQPHDJKPFMIIZ-UHFFFAOYSA-N
XLogP2.13
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The IUPAC name of N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (CID 121389330) is N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.
What is the SMILES notation for N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The canonical SMILES for N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is CCC(=O)NC1COCc2c(-c3ccc4nnn(C)c4c3)cncc21.
What is the InChIKey of N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The InChIKey is OZQPHDJKPFMIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-18(24)20-16-10-25-9-14-12(7-19-8-13(14)16)11-4-5-15-17(6-11)23(2)22-21-15/h4-8,16H,3,9-10H2,1-2H3,(H,20,24).
What are the key properties of N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide has a molecular weight of 337.38 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3-methylbenzotriazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is sourced from PubChem (CID 121389330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).