(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C18H19N3O2 — CID 98752390

IUPAC(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H19N3O2/c22-18(16-9-12-4-5-13(16)8-12)21-14-2-1-3-15(10-14)23-17-11-19-6-7-20-17/h1-3,6-7,10-13,16H,4-5,8-9H2,(H,21,22)/t12-,13-,16-/m0/s1
InChIKeyBNWVPYPVPUECRC-XEZPLFJOSA-N
MW309.37 g/mol
LogP3.64
Rot. Bonds4

About (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98752390) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98752390
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C18H19N3O2/c22-18(16-9-12-4-5-13(16)8-12)21-14-2-1-3-15(10-14)23-17-11-19-6-7-20-17/h1-3,6-7,10-13,16H,4-5,8-9H2,(H,21,22)/t12-,13-,16-/m0/s1
InChIKeyBNWVPYPVPUECRC-XEZPLFJOSA-N
XLogP3.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(1R,2R,4S)-N-(3-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 11878071
(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 790200
N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119287653
N-(3-pyrazin-2-yloxyphenyl)morpholine-3-carboxamide
CID 119720300
ethyl 2-[3-[[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]phenoxy]acetate
CID 129377005
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 86929912
1-(furan-2-carbonyl)-N-(3-pyrazin-2-yloxyphenyl)piperidine-4-carboxamide
CID 39263707
(1S,2R,4S)-N-(6-methoxy-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98641643
2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142
1-amino-N-(3-pyrazin-2-yloxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119287655
7-fluoro-2-oxo-N-(3-pyrazin-2-yloxyphenyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 86929909
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 98752390) is (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1cccc(Oc2cnccn2)c1)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is BNWVPYPVPUECRC-XEZPLFJOSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18(16-9-12-4-5-13(16)8-12)21-14-2-1-3-15(10-14)23-17-11-19-6-7-20-17/h1-3,6-7,10-13,16H,4-5,8-9H2,(H,21,22)/t12-,13-,16-/m0/s1.
What are the key properties of (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-(3-pyrazin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98752390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).