N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

C18H23N5O2 — CID 95841014

IUPACN,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(C[C@H]2COCCN(c3ncccn3)C2)n1
InChIInChI=1S/C18H23N5O2/c1-22(2)17(24)16-6-3-5-15(21-16)11-14-12-23(9-10-25-13-14)18-19-7-4-8-20-18/h3-8,14H,9-13H2,1-2H3/t14-/m1/s1
InChIKeyJSTJPXNAANNTSO-CQSZACIVSA-N
MW341.42 g/mol
LogP1.27
Rot. Bonds4

About N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 95841014) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
PubChem CID95841014
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(C[C@H]2COCCN(c3ncccn3)C2)n1
InChIInChI=1S/C18H23N5O2/c1-22(2)17(24)16-6-3-5-15(21-16)11-14-12-23(9-10-25-13-14)18-19-7-4-8-20-18/h3-8,14H,9-13H2,1-2H3/t14-/m1/s1
InChIKeyJSTJPXNAANNTSO-CQSZACIVSA-N
XLogP1.27
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (CID 95841014) is N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is CN(C)C(=O)c1cccc(C[C@H]2COCCN(c3ncccn3)C2)n1.
What is the InChIKey of N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is JSTJPXNAANNTSO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-22(2)17(24)16-6-3-5-15(21-16)11-14-12-23(9-10-25-13-14)18-19-7-4-8-20-18/h3-8,14H,9-13H2,1-2H3/t14-/m1/s1.
What are the key properties of N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 95841014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).