N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide

C13H18N2O2 — CID 176873000

IUPACN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCOc2cccnc21
InChIInChI=1S/C13H18N2O2/c1-9(2)8-12(16)15-10-5-7-17-11-4-3-6-14-13(10)11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,15,16)
InChIKeyLJMYOVGUNBSUMQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.07
Rot. Bonds3

About N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide

N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide (PubChem CID 176873000) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
PubChem CID176873000
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCOc2cccnc21
InChIInChI=1S/C13H18N2O2/c1-9(2)8-12(16)15-10-5-7-17-11-4-3-6-14-13(10)11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,15,16)
InChIKeyLJMYOVGUNBSUMQ-UHFFFAOYSA-N
XLogP2.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
CID 161064892
N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-4-methylbenzamide
CID 144570152
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 144569932
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 144570089
4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid
CID 154115939
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 82174655
6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 144569763
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
CID 144570162
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
CID 144570083
3-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-4-methoxycyclohexane-1-carboxylic acid
CID 123480598
2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid
CID 129372460

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide?
The IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide (CID 176873000) is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide is CC(C)CC(=O)NC1CCOc2cccnc21.
What is the InChIKey of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide?
The InChIKey is LJMYOVGUNBSUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)8-12(16)15-10-5-7-17-11-4-3-6-14-13(10)11/h3-4,6,9-10H,5,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide?
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide has a molecular weight of 234.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide is sourced from PubChem (CID 176873000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).