N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine

C16H22N4O — CID 97405633

IUPACN,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine
SMILESCc1cccc(CN2CCc3onc(CN(C)C)c3C2)n1
InChIInChI=1S/C16H22N4O/c1-12-5-4-6-13(17-12)9-20-8-7-16-14(10-20)15(18-21-16)11-19(2)3/h4-6H,7-11H2,1-3H3
InChIKeyINRKYXXKQQSJEZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.00
Rot. Bonds4

About N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine

N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine (PubChem CID 97405633) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine
PubChem CID97405633
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine
SMILESCc1cccc(CN2CCc3onc(CN(C)C)c3C2)n1
InChIInChI=1S/C16H22N4O/c1-12-5-4-6-13(17-12)9-20-8-7-16-14(10-20)15(18-21-16)11-19(2)3/h4-6H,7-11H2,1-3H3
InChIKeyINRKYXXKQQSJEZ-UHFFFAOYSA-N
XLogP2.00
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine (CID 97405633) is N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine is Cc1cccc(CN2CCc3onc(CN(C)C)c3C2)n1.
What is the InChIKey of N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine?
The InChIKey is INRKYXXKQQSJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-5-4-6-13(17-12)9-20-8-7-16-14(10-20)15(18-21-16)11-19(2)3/h4-6H,7-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine?
N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-yl]methanamine is sourced from PubChem (CID 97405633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).