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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Related Compounds

1-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]-6-oxopyridazine-3-carboxamide
CID 91629784
2-bromo-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629797
N-[cyclopropyl-(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 47016466
(E)-N-[(S)-oxan-4-yl(pyridin-3-yl)methyl]-3-phenylprop-2-enamide
CID 100699545
1-(1-adamantyl)-3-[oxan-4-yl(pyridin-3-yl)methyl]urea
CID 91629831
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
3-fluoro-4-methoxy-N-[oxan-4-yl(pyridin-3-yl)methyl]benzamide
CID 91629820
2-benzylsulfanyl-N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 100699932
N-[(R)-oxan-4-yl(pyridin-3-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 100701151
2-benzylsulfanyl-N-[oxan-4-yl(pyridin-3-yl)methyl]acetamide
CID 91629752
6-bromo-2-methyl-N-[oxan-4-yl(pyridin-3-yl)methyl]indazole-3-carboxamide
CID 91629779
N-[cyclopropyl(pyridin-3-yl)methyl]-5-(difluoromethyl)-1-methylpyrazole-3-carboxamide
CID 136564730

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).