N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide

C13H14N4O3 — CID 132970657

IUPACN-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)Nc1ccc2c(n1)OCCO2
InChIInChI=1S/C13H14N4O3/c18-12(4-1-9-7-14-15-8-9)16-11-3-2-10-13(17-11)20-6-5-19-10/h2-3,7-8H,1,4-6H2,(H,14,15)(H,16,17,18)
InChIKeyDFXBRXLBDIMXAE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.15
Rot. Bonds4

About N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide

N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 132970657) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide
PubChem CID132970657
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide
SMILESO=C(CCc1cn[nH]c1)Nc1ccc2c(n1)OCCO2
InChIInChI=1S/C13H14N4O3/c18-12(4-1-9-7-14-15-8-9)16-11-3-2-10-13(17-11)20-6-5-19-10/h2-3,7-8H,1,4-6H2,(H,14,15)(H,16,17,18)
InChIKeyDFXBRXLBDIMXAE-UHFFFAOYSA-N
XLogP1.15
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-methyl-2-pyridinyl)propanamide
CID 17455509
3-(1H-pyrazol-4-yl)propanamide
CID 22405803
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72848010
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125446001
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131905145
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 122560537
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 9453893
N-(1H-pyrazol-4-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 60735915
3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755620
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]prop-2-enamide
CID 122141489
N-[1-(diethylaminomethyl)cyclopropyl]-3-(1H-pyrazol-4-yl)propanamide;formic acid
CID 154910174
3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide
CID 43429706

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide (CID 132970657) is N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide is O=C(CCc1cn[nH]c1)Nc1ccc2c(n1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is DFXBRXLBDIMXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c18-12(4-1-9-7-14-15-8-9)16-11-3-2-10-13(17-11)20-6-5-19-10/h2-3,7-8H,1,4-6H2,(H,14,15)(H,16,17,18).
What are the key properties of N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide?
N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 274.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 132970657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).