N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide

C16H20N4O2 — CID 164629378

IUPACN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide
SMILESCOC[C@@H](c1ccccn1)N(C)C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C16H20N4O2/c1-11-9-14(19-12(2)18-11)16(21)20(3)15(10-22-4)13-7-5-6-8-17-13/h5-9,15H,10H2,1-4H3/t15-/m0/s1
InChIKeyZUGPMMYKOLRIDO-HNNXBMFYSA-N
MW300.36 g/mol
LogP1.95
Rot. Bonds5

About N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide

N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide (PubChem CID 164629378) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide
PubChem CID164629378
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide
SMILESCOC[C@@H](c1ccccn1)N(C)C(=O)c1cc(C)nc(C)n1
InChIInChI=1S/C16H20N4O2/c1-11-9-14(19-12(2)18-11)16(21)20(3)15(10-22-4)13-7-5-6-8-17-13/h5-9,15H,10H2,1-4H3/t15-/m0/s1
InChIKeyZUGPMMYKOLRIDO-HNNXBMFYSA-N
XLogP1.95
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide (CID 164629378) is N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide is COC[C@@H](c1ccccn1)N(C)C(=O)c1cc(C)nc(C)n1.
What is the InChIKey of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide?
The InChIKey is ZUGPMMYKOLRIDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-9-14(19-12(2)18-11)16(21)20(3)15(10-22-4)13-7-5-6-8-17-13/h5-9,15H,10H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide?
N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-pyridin-2-ylethyl]-N,2,6-trimethylpyrimidine-4-carboxamide is sourced from PubChem (CID 164629378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).