N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

C19H19N3O3 — CID 121389399

IUPACN-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3ccc4onc(C)c4c3)cncc21
InChIInChI=1S/C19H19N3O3/c1-3-19(23)21-17-10-24-9-16-14(7-20-8-15(16)17)12-4-5-18-13(6-12)11(2)22-25-18/h4-8,17H,3,9-10H2,1-2H3,(H,21,23)
InChIKeyYINLZJGHPAJVAR-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.30
Rot. Bonds3

About N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide

N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (PubChem CID 121389399) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.

Molecular Properties

Compound NameN-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
PubChem CID121389399
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
SMILESCCC(=O)NC1COCc2c(-c3ccc4onc(C)c4c3)cncc21
InChIInChI=1S/C19H19N3O3/c1-3-19(23)21-17-10-24-9-16-14(7-20-8-15(16)17)12-4-5-18-13(6-12)11(2)22-25-18/h4-8,17H,3,9-10H2,1-2H3,(H,21,23)
InChIKeyYINLZJGHPAJVAR-UHFFFAOYSA-N
XLogP3.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide
CID 121389390
N-[(8R)-4-(1-methyl-4,5-dihydrobenzo[e][1,2]benzoxazol-7-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 176657024
N-[8-(2-oxochromen-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide
CID 121389352
N-[(8R)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 89473286
N-[(7R,8S)-7-methyl-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537632
N-[(7S,8R)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide;N-[(7R,8S)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 161127699
N-[(7R,8R)-7-fluoro-4-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537926
N-[(8R)-4-(8-chloro-1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 71537630
8-[4-amino-3-[amino(methyl)amino]phenyl]-N-ethylsulfanyl-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
CID 138726325
6-(4-hydroxy-3,4-dihydro-1H-pyrano[4,3-c]pyridin-8-yl)-2-methyl-3,4-dihydroisoquinolin-1-one
CID 121389340
N-[7-fluoro-4-(2-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide
CID 134268287
8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
CID 130422361

Frequently Asked Questions

What is the IUPAC name of N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The IUPAC name of N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide (CID 121389399) is N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide.
What is the SMILES notation for N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The canonical SMILES for N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is CCC(=O)NC1COCc2c(-c3ccc4onc(C)c4c3)cncc21.
What is the InChIKey of N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
The InChIKey is YINLZJGHPAJVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-19(23)21-17-10-24-9-16-14(7-20-8-15(16)17)12-4-5-18-13(6-12)11(2)22-25-18/h4-8,17H,3,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide?
N-[8-(3-methyl-1,2-benzoxazol-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 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3-methyl-1,2-benzoxazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]propanamide is sourced from PubChem (CID 121389399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).