N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide

C18H18N4O2 — CID 121389411

IUPACN-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide
SMILESCC(=O)NC1COCc2c(-c3ccc4cnn(C)c4c3)cncc21
InChIInChI=1S/C18H18N4O2/c1-11(23)21-17-10-24-9-16-14(7-19-8-15(16)17)12-3-4-13-6-20-22(2)18(13)5-12/h3-8,17H,9-10H2,1-2H3,(H,21,23)
InChIKeyUVRQFFJELVVHHX-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.34
Rot. Bonds2

About N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide

N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide (PubChem CID 121389411) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide
PubChem CID121389411
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide
SMILESCC(=O)NC1COCc2c(-c3ccc4cnn(C)c4c3)cncc21
InChIInChI=1S/C18H18N4O2/c1-11(23)21-17-10-24-9-16-14(7-19-8-15(16)17)12-3-4-13-6-20-22(2)18(13)5-12/h3-8,17H,9-10H2,1-2H3,(H,21,23)
InChIKeyUVRQFFJELVVHHX-UHFFFAOYSA-N
XLogP2.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide?
The IUPAC name of N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide (CID 121389411) is N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide.
What is the SMILES notation for N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide?
The canonical SMILES for N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide is CC(=O)NC1COCc2c(-c3ccc4cnn(C)c4c3)cncc21.
What is the InChIKey of N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide?
The InChIKey is UVRQFFJELVVHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(23)21-17-10-24-9-16-14(7-19-8-15(16)17)12-3-4-13-6-20-22(2)18(13)5-12/h3-8,17H,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide?
N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1-methylindazol-6-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-yl]acetamide is sourced from PubChem (CID 121389411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).