N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine

C34H45N9O2 — CID 158644922

IUPACN,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESCN(C)CCOc1ccccn1.Cc1ccncn1.c1ccc(OCCN2CCCC2)nc1.c1ccncc1.c1cnccn1
InChIInChI=1S/C11H16N2O.C9H14N2O.C5H6N2.C5H5N.C4H4N2/c1-2-6-12-11(5-1)14-10-9-13-7-3-4-8-13;1-11(2)7-8-12-9-5-3-4-6-10-9;1-5-2-3-6-4-7-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-2,5-6H,3-4,7-10H2;3-6H,7-8H2,1-2H3;2-4H,1H3;1-5H;1-4H
InChIKeyIAVPHEPVRWZNJX-UHFFFAOYSA-N
MW611.80 g/mol
LogP4.92
Rot. Bonds8

About N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine

N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine (PubChem CID 158644922) has the molecular formula C34H45N9O2 and a molecular weight of 611.80 g/mol. Its IUPAC name is N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine.

Molecular Properties

Compound NameN,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine
PubChem CID158644922
Molecular FormulaC34H45N9O2
Molecular Weight611.80 g/mol
Exact Mass611.37
IUPAC NameN,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine
SMILESCN(C)CCOc1ccccn1.Cc1ccncn1.c1ccc(OCCN2CCCC2)nc1.c1ccncc1.c1cnccn1
InChIInChI=1S/C11H16N2O.C9H14N2O.C5H6N2.C5H5N.C4H4N2/c1-2-6-12-11(5-1)14-10-9-13-7-3-4-8-13;1-11(2)7-8-12-9-5-3-4-6-10-9;1-5-2-3-6-4-7-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-2,5-6H,3-4,7-10H2;3-6H,7-8H2,1-2H3;2-4H,1H3;1-5H;1-4H
InChIKeyIAVPHEPVRWZNJX-UHFFFAOYSA-N
XLogP4.92
TPSA115.17 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.80
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

1-(2-methylphenyl)-4-(2-pyridin-2-yloxyethyl)piperazine;hydrochloride
CID 21149439
4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 142664562
N,N-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-1-amine
CID 170866493
3-bromo-2-(2-piperidin-1-ylethoxy)pyridine
CID 55136336
5-phenyl-2-(2-piperidin-1-ylethoxy)pyridine
CID 126471382
2-(2-pyrrolidin-1-ylethoxymethyl)pyridine
CID 163407284
4-chloro-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 61277940
3-(chloromethyl)-2-(2-piperidin-1-ylethoxy)pyridine
CID 61267879
N-methyl-6-(2-pyrrolidin-1-ylethoxy)pyridin-2-amine
CID 80870610
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
hydron;4-methylpyrimidine
CID 174915530
5-tert-butyl-2-(2-pyrrolidin-1-ylethoxy)pyridine
CID 67960770

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine?
The IUPAC name of N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine (CID 158644922) is N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine.
What is the SMILES notation for N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine?
The canonical SMILES for N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine is CN(C)CCOc1ccccn1.Cc1ccncn1.c1ccc(OCCN2CCCC2)nc1.c1ccncc1.c1cnccn1.
What is the InChIKey of N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine?
The InChIKey is IAVPHEPVRWZNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C9H14N2O.C5H6N2.C5H5N.C4H4N2/c1-2-6-12-11(5-1)14-10-9-13-7-3-4-8-13;1-11(2)7-8-12-9-5-3-4-6-10-9;1-5-2-3-6-4-7-5;1-2-4-6-5-3-1;1-2-6-4-3-5-1/h1-2,5-6H,3-4,7-10H2;3-6H,7-8H2,1-2H3;2-4H,1H3;1-5H;1-4H.
What are the key properties of N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine?
N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine has a molecular weight of 611.80 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyridin-2-yloxyethanamine;4-methylpyrimidine;pyrazine;pyridine;2-(2-pyrrolidin-1-ylethoxy)pyridine is sourced from PubChem (CID 158644922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).