N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide

C16H18N4O2 — CID 100699381

IUPACN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(N[C@H](c1cccnc1)C1CCOCC1)c1cnccn1
InChIInChI=1S/C16H18N4O2/c21-16(14-11-18-6-7-19-14)20-15(12-3-8-22-9-4-12)13-2-1-5-17-10-13/h1-2,5-7,10-12,15H,3-4,8-9H2,(H,20,21)/t15-/m0/s1
InChIKeyCUVJEYHQNNMPRA-HNNXBMFYSA-N
MW298.35 g/mol
LogP1.77
Rot. Bonds4

About N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide

N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide (PubChem CID 100699381) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
PubChem CID100699381
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide
SMILESO=C(N[C@H](c1cccnc1)C1CCOCC1)c1cnccn1
InChIInChI=1S/C16H18N4O2/c21-16(14-11-18-6-7-19-14)20-15(12-3-8-22-9-4-12)13-2-1-5-17-10-13/h1-2,5-7,10-12,15H,3-4,8-9H2,(H,20,21)/t15-/m0/s1
InChIKeyCUVJEYHQNNMPRA-HNNXBMFYSA-N
XLogP1.77
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide (CID 100699381) is N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide is O=C(N[C@H](c1cccnc1)C1CCOCC1)c1cnccn1.
What is the InChIKey of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide?
The InChIKey is CUVJEYHQNNMPRA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-16(14-11-18-6-7-19-14)20-15(12-3-8-22-9-4-12)13-2-1-5-17-10-13/h1-2,5-7,10-12,15H,3-4,8-9H2,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide?
N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 100699381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).