N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide

C14H14N4O3 — CID 53195029

IUPACN,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1nc(-c2ccccn2)nc2c1OCCO2
InChIInChI=1S/C14H14N4O3/c1-18(2)14(19)10-11-13(21-8-7-20-11)17-12(16-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3
InChIKeyHAKXCARTQCEHLM-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.01
Rot. Bonds2

About N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide

N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide (PubChem CID 53195029) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide
PubChem CID53195029
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide
SMILESCN(C)C(=O)c1nc(-c2ccccn2)nc2c1OCCO2
InChIInChI=1S/C14H14N4O3/c1-18(2)14(19)10-11-13(21-8-7-20-11)17-12(16-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3
InChIKeyHAKXCARTQCEHLM-UHFFFAOYSA-N
XLogP1.01
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide (CID 53195029) is N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide is CN(C)C(=O)c1nc(-c2ccccn2)nc2c1OCCO2.
What is the InChIKey of N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is HAKXCARTQCEHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-18(2)14(19)10-11-13(21-8-7-20-11)17-12(16-10)9-5-3-4-6-15-9/h3-6H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide?
N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 286.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyridin-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 53195029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).